(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

C24H42N2O2 — CID 25260797

IUPAC(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESCC1(C)/C(=N/OCCCN)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C24H42N2O2/c1-22(2)19-8-6-16-17-7-9-21(27)24(17,4)12-10-18(16)23(19,3)13-11-20(22)26-28-15-5-14-25/h16-19,21,27H,5-15,25H2,1-4H3/b26-20+/t16-,17-,18-,19?,21-,23+,24-/m0/s1
InChIKeyZGRNGGOXAPKIHF-ZAXGVCTASA-N
MW390.61 g/mol
LogP4.75
Rot. Bonds4

About (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (PubChem CID 25260797) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
PubChem CID25260797
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Name(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESCC1(C)/C(=N/OCCCN)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C24H42N2O2/c1-22(2)19-8-6-16-17-7-9-21(27)24(17,4)12-10-18(16)23(19,3)13-11-20(22)26-28-15-5-14-25/h16-19,21,27H,5-15,25H2,1-4H3/b26-20+/t16-,17-,18-,19?,21-,23+,24-/m0/s1
InChIKeyZGRNGGOXAPKIHF-ZAXGVCTASA-N
XLogP4.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol 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

(3E,8R,9R,10R,13S,14S)-3-(2-aminoethoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 87574305
(3E,8R,9S,10R,13S,14S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;(E)-but-2-enedioic acid
CID 87553249
3-(3-aminopropoxyimino)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 75600429
(4S,8R,9S,10R,13S,14S,17S)-3-(2-aminoethoxyimino)-4-fluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 87553545
(3Z,10S,13S,17R)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 51030676
(5R,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-4,4,10,13-tetramethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;but-2-enedioic acid
CID 160555405
(3Z,5S,6S,10R,13S,17S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,17-diol
CID 59890136
(3E,5R,8R,9S,10R,13S,14S,17S)-3-(2-aminoethoxyimino)-17-hydroxy-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
CID 11035839
(2R,3E,8R,9S,10S,13S,14S,17S)-3-(2-aminoethoxyimino)-2-fluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 25262826
3-(3-aminopropylsulfinyl)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 123894361
9H-fluoren-9-ylmethyl N-[2-[[(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-17-oxo-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyethyl]carbamate
CID 123592032
(1S,2R,11S,12S,15S,16S)-15-hydroxy-2,7,7,16-tetramethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadecan-6-one
CID 87553445

Frequently Asked Questions

What is the IUPAC name of (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The IUPAC name of (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (CID 25260797) is (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is CC1(C)/C(=N/OCCCN)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12.
What is the InChIKey of (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The InChIKey is ZGRNGGOXAPKIHF-ZAXGVCTASA-N. The full InChI is InChI=1S/C24H42N2O2/c1-22(2)19-8-6-16-17-7-9-21(27)24(17,4)12-10-18(16)23(19,3)13-11-20(22)26-28-15-5-14-25/h16-19,21,27H,5-15,25H2,1-4H3/b26-20+/t16-,17-,18-,19?,21-,23+,24-/m0/s1.
What are the key properties of (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
(3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol has a molecular weight of 390.61 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8R,9S,10R,13S,14S,17S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 25260797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).