(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine

C19H29N — CID 90783184

IUPAC(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine
SMILES[H]/N=C1\C=C2CCCC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3C12
InChIInChI=1S/C19H29N/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h12,14-15,17,20H,3-11H2,1-2H3/b20-16+/t14-,15+,17?,18-,19-/m0/s1
InChIKeyKBFHAMISYQJDNG-DXSRIFAXSA-N
MW271.45 g/mol
LogP5.36
Rot. Bonds

About (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine

(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine (PubChem CID 90783184) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine.

Molecular Properties

Compound Name(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine
PubChem CID90783184
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine
SMILES[H]/N=C1\C=C2CCCC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3C12
InChIInChI=1S/C19H29N/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h12,14-15,17,20H,3-11H2,1-2H3/b20-16+/t14-,15+,17?,18-,19-/m0/s1
InChIKeyKBFHAMISYQJDNG-DXSRIFAXSA-N
XLogP5.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine with MolForge

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Related Compounds

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CID 21763506
Cholest-4-en-3-one oxime
CID 76971721
Olesoxime, E-
CID 9930827
3-Hydroximinocholest-4-ene
CID 6026135
(NE)-N-[(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 164611885
(5S,8R,9S,10S,13S,14S)-N,10,13-trimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-imine
CID 164616404
(10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-dione hydrazone
CID 11820982
N-[10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 228400
5-Cholesten-3-one oxime
CID 228401
Androst-4-ene-3,17-dione, dioxime
CID 71366929
(NE)-N-[(1R,8R,9S,13R,14S,17R)-1,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 129635213
17-Hydroximino-5a-androst-2-ene
CID 129819709

Frequently Asked Questions

What is the IUPAC name of (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine?
The IUPAC name of (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine (CID 90783184) is (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine.
What is the SMILES notation for (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine?
The canonical SMILES for (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine is [H]/N=C1\C=C2CCCC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3C12.
What is the InChIKey of (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine?
The InChIKey is KBFHAMISYQJDNG-DXSRIFAXSA-N. The full InChI is InChI=1S/C19H29N/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h12,14-15,17,20H,3-11H2,1-2H3/b20-16+/t14-,15+,17?,18-,19-/m0/s1.
What are the key properties of (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine?
(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine has a molecular weight of 271.45 g/mol, XLogP of 5.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine is sourced from PubChem (CID 90783184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).