(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol

C19H29NO2 — CID 66707942

IUPAC(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol
SMILESC[C@]12CCCC=C1CC(O)C1=C2CC[C@@]2(C)[C@H]1CCC2(N)O
InChIInChI=1S/C19H29NO2/c1-17-8-4-3-5-12(17)11-15(21)16-13(17)6-9-18(2)14(16)7-10-19(18,20)22/h5,14-15,21-22H,3-4,6-11,20H2,1-2H3/t14-,15?,17-,18-,19?/m0/s1
InChIKeyOKRNNOPPOMVBQN-MNDRRDKVSA-N
MW303.45 g/mol
LogP3.02
Rot. Bonds

About (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol

(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol (PubChem CID 66707942) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol.

Molecular Properties

Compound Name(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol
PubChem CID66707942
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol
SMILESC[C@]12CCCC=C1CC(O)C1=C2CC[C@@]2(C)[C@H]1CCC2(N)O
InChIInChI=1S/C19H29NO2/c1-17-8-4-3-5-12(17)11-15(21)16-13(17)6-9-18(2)14(16)7-10-19(18,20)22/h5,14-15,21-22H,3-4,6-11,20H2,1-2H3/t14-,15?,17-,18-,19?/m0/s1
InChIKeyOKRNNOPPOMVBQN-MNDRRDKVSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol?
The IUPAC name of (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol (CID 66707942) is (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol.
What is the SMILES notation for (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol?
The canonical SMILES for (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol is C[C@]12CCCC=C1CC(O)C1=C2CC[C@@]2(C)[C@H]1CCC2(N)O.
What is the InChIKey of (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol?
The InChIKey is OKRNNOPPOMVBQN-MNDRRDKVSA-N. The full InChI is InChI=1S/C19H29NO2/c1-17-8-4-3-5-12(17)11-15(21)16-13(17)6-9-18(2)14(16)7-10-19(18,20)22/h5,14-15,21-22H,3-4,6-11,20H2,1-2H3/t14-,15?,17-,18-,19?/m0/s1.
What are the key properties of (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol?
(10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol has a molecular weight of 303.45 g/mol, XLogP of 3.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,13S,14S)-17-amino-10,13-dimethyl-1,2,3,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-7,17-diol is sourced from PubChem (CID 66707942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).