(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine

C26H43N — CID 144944908

IUPAC(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine
SMILESCC1(C)C=CCC2(C)[C@H]3CCC4[C@H]5CCCC5(N)CC[C@@]4(C)C3(C)CC[C@@H]12
InChIInChI=1S/C26H43N/c1-22(2)12-7-13-23(3)20(22)11-15-25(5)21(23)10-9-18-19-8-6-14-26(19,27)17-16-24(18,25)4/h7,12,18-21H,6,8-11,13-17,27H2,1-5H3/t18?,19-,20+,21-,23?,24-,25?,26?/m1/s1
InChIKeySKFUTDIWYDDLOC-FHGDNZPZSA-N
MW369.64 g/mol
LogP6.72
Rot. Bonds

About (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine

(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine (PubChem CID 144944908) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine.

Molecular Properties

Compound Name(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine
PubChem CID144944908
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Name(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine
SMILESCC1(C)C=CCC2(C)[C@H]3CCC4[C@H]5CCCC5(N)CC[C@@]4(C)C3(C)CC[C@@H]12
InChIInChI=1S/C26H43N/c1-22(2)12-7-13-23(3)20(22)11-15-25(5)21(23)10-9-18-19-8-6-14-26(19,27)17-16-24(18,25)4/h7,12,18-21H,6,8-11,13-17,27H2,1-5H3/t18?,19-,20+,21-,23?,24-,25?,26?/m1/s1
InChIKeySKFUTDIWYDDLOC-FHGDNZPZSA-N
XLogP6.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3aR,5aR,5bS,7aS,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene
CID 125030556
(5aR)-9-[4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine;ethane;prop-1-ene
CID 144944911
(5aR)-3a,5a,5b,8,11a-pentamethyl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol
CID 126542425
benzyl 5b,8,8,11a-tetramethyl-2,3,4,5,5a,6,7,7a,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
CID 131968026
(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
CID 165343121
(3aS,3bS,5aR,9aR,9bS,11aS)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,9,9b,10,11,11a-decahydronaphtho[2,1-e][2]benzofuran-1-one
CID 134845796
(5S,8R,9S,10R,13S,14S,17R)-17-ethyl-4,4,10,13-tetramethyl-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 91700631
(5aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
CID 130413740
(5aR,7aS,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
CID 145006901
(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2,6,6-trimethyl-3H-pyran-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 50908217
(5aR,8R,9S,11aS)-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol
CID 148748333
(3aS,5aR,5bR,9S,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
CID 89312768

Frequently Asked Questions

What is the IUPAC name of (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine?
The IUPAC name of (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine (CID 144944908) is (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine.
What is the SMILES notation for (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine?
The canonical SMILES for (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine is CC1(C)C=CCC2(C)[C@H]3CCC4[C@H]5CCCC5(N)CC[C@@]4(C)C3(C)CC[C@@H]12.
What is the InChIKey of (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine?
The InChIKey is SKFUTDIWYDDLOC-FHGDNZPZSA-N. The full InChI is InChI=1S/C26H43N/c1-22(2)12-7-13-23(3)20(22)11-15-25(5)21(23)10-9-18-19-8-6-14-26(19,27)17-16-24(18,25)4/h7,12,18-21H,6,8-11,13-17,27H2,1-5H3/t18?,19-,20+,21-,23?,24-,25?,26?/m1/s1.
What are the key properties of (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine?
(5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine has a molecular weight of 369.64 g/mol, XLogP of 6.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,7aS,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-amine is sourced from PubChem (CID 144944908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).