(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane

C137H192N4 — CID 158281846

IUPAC(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane
SMILESC.CN([C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccccc6c5)[C@@]4(C)CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccccc5c4)CC[C@@H]32)C1)C(C)(C)C
InChIInChI=1S/C34H49N.2C34H47N.C34H45N.CH4/c4*1-32(2,3)35(6)27-17-19-33(4)26(22-27)13-14-28-30-16-15-29(34(30,5)20-18-31(28)33)25-12-11-23-9-7-8-10-24(23)21-25;/h7-12,21,26-31H,13-20,22H2,1-6H3;7-12,15,21,26-28,30-31H,13-14,16-20,22H2,1-6H3;7-13,21,27-31H,14-20,22H2,1-6H3;7-13,15,21,27-28,30-31H,14,16-20,22H2,1-6H3;1H4/t26-,27+,28-,29+,30-,31-,33-,34+;26-,27+,28-,30-,31-,33-,34+;27-,28+,29-,30+,31+,33+,34-;27-,28+,30+,31+,33+,34-;/m0011./s1
InChIKeyGKHSBGJOHACAGG-HSZGXUSTSA-N
MW1895.07 g/mol
LogP36.56
Rot. Bonds8

About (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane

(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane (PubChem CID 158281846) has the molecular formula C137H192N4 and a molecular weight of 1895.07 g/mol. Its IUPAC name is (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane.

Molecular Properties

Compound Name(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane
PubChem CID158281846
Molecular FormulaC137H192N4
Molecular Weight1895.07 g/mol
Exact Mass1893.51
IUPAC Name(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane
SMILESC.CN([C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccccc6c5)[C@@]4(C)CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccccc5c4)CC[C@@H]32)C1)C(C)(C)C
InChIInChI=1S/C34H49N.2C34H47N.C34H45N.CH4/c4*1-32(2,3)35(6)27-17-19-33(4)26(22-27)13-14-28-30-16-15-29(34(30,5)20-18-31(28)33)25-12-11-23-9-7-8-10-24(23)21-25;/h7-12,21,26-31H,13-20,22H2,1-6H3;7-12,15,21,26-28,30-31H,13-14,16-20,22H2,1-6H3;7-13,21,27-31H,14-20,22H2,1-6H3;7-13,15,21,27-28,30-31H,14,16-20,22H2,1-6H3;1H4/t26-,27+,28-,29+,30-,31-,33-,34+;26-,27+,28-,30-,31-,33-,34+;27-,28+,29-,30+,31+,33+,34-;27-,28+,30+,31+,33+,34-;/m0011./s1
InChIKeyGKHSBGJOHACAGG-HSZGXUSTSA-N
XLogP36.56
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001895.07
LogP ≤ 536.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane with MolForge

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Related Compounds

(3S,5S,9S,10S,14S)-17-isoquinolin-6-yl-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 70845517
(8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene
CID 160917874
1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]triazole
CID 157282556
17-isoquinolin-7-yl-N,10,13-trimethyl-N-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 153335338
N-(10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylacetamide
CID 76533146
(3R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-3-naphthalen-2-yl-16-(4-phenylphenyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 102239530
3-[(3S,10S,13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
CID 122644566
5-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-[(2-methylpropan-2-yl)oxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3H-isoindol-1-amine
CID 157283877
N-[10,13-dimethyl-17-(5-methyl-3-pyridinyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylacetamide
CID 77405395
(3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 57385658
(10S,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146157849
(3S,8S,9R,10R,13S,14R,17S)-10,13-dimethyl-3-[(2-methylpropan-2-yl)oxy]-17-phenoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 124822300

Frequently Asked Questions

What is the IUPAC name of (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane?
The IUPAC name of (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane (CID 158281846) is (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane.
What is the SMILES notation for (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane?
The canonical SMILES for (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane is C.CN([C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccccc6c5)[C@@]4(C)CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccccc5c4)=CC[C@@H]32)C1)C(C)(C)C.CN([C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccccc5c4)CC[C@@H]32)C1)C(C)(C)C.
What is the InChIKey of (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane?
The InChIKey is GKHSBGJOHACAGG-HSZGXUSTSA-N. The full InChI is InChI=1S/C34H49N.2C34H47N.C34H45N.CH4/c4*1-32(2,3)35(6)27-17-19-33(4)26(22-27)13-14-28-30-16-15-29(34(30,5)20-18-31(28)33)25-12-11-23-9-7-8-10-24(23)21-25;/h7-12,21,26-31H,13-20,22H2,1-6H3;7-12,15,21,26-28,30-31H,13-14,16-20,22H2,1-6H3;7-13,21,27-31H,14-20,22H2,1-6H3;7-13,15,21,27-28,30-31H,14,16-20,22H2,1-6H3;1H4/t26-,27+,28-,29+,30-,31-,33-,34+;26-,27+,28-,30-,31-,33-,34+;27-,28+,29-,30+,31+,33+,34-;27-,28+,30+,31+,33+,34-;/m0011./s1.
What are the key properties of (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane?
(3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane has a molecular weight of 1895.07 g/mol, XLogP of 36.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R,9S,10R,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,8S,9S,10R,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;(3R,5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-N,10,13-trimethyl-17-naphthalen-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;methane is sourced from PubChem (CID 158281846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).