(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine

C22H33NO — CID 142417136

IUPAC(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine
SMILESC=C1C=C2CCC3C(CCC4(C)/C(=N/OCC)CCC34)C2(C)CC1
InChIInChI=1S/C22H33NO/c1-5-24-23-20-9-8-18-17-7-6-16-14-15(2)10-12-21(16,3)19(17)11-13-22(18,20)4/h14,17-19H,2,5-13H2,1,3-4H3/b23-20+
InChIKeyUKLUMROHQLLYTE-BSYVCWPDSA-N
MW327.51 g/mol
LogP5.90
Rot. Bonds2

About (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine

(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine (PubChem CID 142417136) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine
PubChem CID142417136
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine
SMILESC=C1C=C2CCC3C(CCC4(C)/C(=N/OCC)CCC34)C2(C)CC1
InChIInChI=1S/C22H33NO/c1-5-24-23-20-9-8-18-17-7-6-16-14-15(2)10-12-21(16,3)19(17)11-13-22(18,20)4/h14,17-19H,2,5-13H2,1,3-4H3/b23-20+
InChIKeyUKLUMROHQLLYTE-BSYVCWPDSA-N
XLogP5.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine 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

(8R,9S,10R,13S,14S)-3-N,17-N-dimethoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diimine
CID 91743381
(10R,13R,17S)-17-ethyl-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 162357955
(E)-[(3Z,8R,9S,10R,13S,14R)-3-hydrazinylidene-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine
CID 172962766
N-[(8R,9S,10R,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 71366929
[(E)-1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino] formate
CID 168883828
17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;molecular hydrogen
CID 176925479
1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine
CID 168883920
1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanimine
CID 168883605
1,2-dimethylcyclohexa-1,3-diene;prop-1-ene;10,13,17-trimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene
CID 143879885
1-O-[(10R,13S,17S)-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-O-[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanedioate
CID 170027329
(3E,10R,13S)-3-[2-(dimethylamino)ethoxyimino]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 88898410
[2-[2-[[(10R,13S)-10,13-dimethyl-17-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyethyl]-1,3-oxazol-5-yl]methanamine
CID 88916149

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine?
The IUPAC name of (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine (CID 142417136) is (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine.
What is the SMILES notation for (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine?
The canonical SMILES for (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine is C=C1C=C2CCC3C(CCC4(C)/C(=N/OCC)CCC34)C2(C)CC1.
What is the InChIKey of (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine?
The InChIKey is UKLUMROHQLLYTE-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H33NO/c1-5-24-23-20-9-8-18-17-7-6-16-14-15(2)10-12-21(16,3)19(17)11-13-22(18,20)4/h14,17-19H,2,5-13H2,1,3-4H3/b23-20+.
What are the key properties of (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine?
(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine has a molecular weight of 327.51 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine is sourced from PubChem (CID 142417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).