(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine

C21H33N — CID 154191384

IUPAC(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine
SMILESCN(C)C1=CC2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1
InChIInChI=1S/C21H33N/c1-20-11-5-6-18(20)17-8-7-15-14-16(22(3)4)9-13-21(15,2)19(17)10-12-20/h9,13-15,17-19H,5-8,10-12H2,1-4H3/t15?,17-,18-,19-,20-,21-/m0/s1
InChIKeyCLHPNFPDENGXQJ-RZHSAGOMSA-N
MW299.50 g/mol
LogP5.25
Rot. Bonds1

About (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine

(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine (PubChem CID 154191384) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine.

Molecular Properties

Compound Name(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine
PubChem CID154191384
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine
SMILESCN(C)C1=CC2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1
InChIInChI=1S/C21H33N/c1-20-11-5-6-18(20)17-8-7-15-14-16(22(3)4)9-13-21(15,2)19(17)10-12-20/h9,13-15,17-19H,5-8,10-12H2,1-4H3/t15?,17-,18-,19-,20-,21-/m0/s1
InChIKeyCLHPNFPDENGXQJ-RZHSAGOMSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine with MolForge

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Related Compounds

(8S,9R,10R,13S,14S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 57082459
(5S,8S,9S,10R,13S,14S)-10,13-dimethyl-3-phenoxy-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene
CID 154246701
(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 66708413
(8R,9R,10R,13S,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 57419017
(8R,9S,10R,13S,14S)-3-amino-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-5H-cyclopenta[a]phenanthren-17-ol
CID 66708501
(8S,9S,10S,13S,14S)-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-amine
CID 22214729
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-4-hydroxy-N,2-dimethylbenzenesulfonamide
CID 91371771
(5R,8S,9S,10R,13S,14S)-4-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene;trifluoromethanesulfonic acid
CID 159146268
(3S,8S,10R,13S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
CID 168990563
(5R,8S,9S,10S,13S,14S)-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-2-carbonitrile
CID 162670214
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018

Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine?
The IUPAC name of (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine (CID 154191384) is (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine.
What is the SMILES notation for (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine?
The canonical SMILES for (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine is CN(C)C1=CC2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1.
What is the InChIKey of (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine?
The InChIKey is CLHPNFPDENGXQJ-RZHSAGOMSA-N. The full InChI is InChI=1S/C21H33N/c1-20-11-5-6-18(20)17-8-7-15-14-16(22(3)4)9-13-21(15,2)19(17)10-12-20/h9,13-15,17-19H,5-8,10-12H2,1-4H3/t15?,17-,18-,19-,20-,21-/m0/s1.
What are the key properties of (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine?
(8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine has a molecular weight of 299.50 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-amine is sourced from PubChem (CID 154191384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).