(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine

C27H46N4 — CID 11820982

IUPAC(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3/C(=N/N)CC4=C/C(=N/N)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C27H46N4/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(30-28)15-19(26)16-24(25)31-29/h15,17-18,21-23,25H,6-14,16,28-29H2,1-5H3/b30-20+,31-24+/t18-,21-,22+,23?,25?,26+,27-/m1/s1
InChIKeyUZTSTTQWKSJVQH-SAYQFMGOSA-N
MW426.69 g/mol
LogP6.27
Rot. Bonds5

About (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine

(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine (PubChem CID 11820982) has the molecular formula C27H46N4 and a molecular weight of 426.69 g/mol. Its IUPAC name is (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine
PubChem CID11820982
Molecular FormulaC27H46N4
Molecular Weight426.69 g/mol
Exact Mass426.37
IUPAC Name(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3/C(=N/N)CC4=C/C(=N/N)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C27H46N4/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(30-28)15-19(26)16-24(25)31-29/h15,17-18,21-23,25H,6-14,16,28-29H2,1-5H3/b30-20+,31-24+/t18-,21-,22+,23?,25?,26+,27-/m1/s1
InChIKeyUZTSTTQWKSJVQH-SAYQFMGOSA-N
XLogP6.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine with MolForge

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Related Compounds

Olesoxime
CID 21763506
Cholest-4-en-3-one oxime
CID 76971721
(8S,9S,10R,13R,14S,17R)-N,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine oxide
CID 86280675
(8S,9S,10R,13R,14S,17R)-N,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine oxide
CID 118976051
Olesoxime, E-
CID 9930827
3-Hydroximinocholest-4-ene
CID 6026135
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
Progesterondioxim
CID 20845314
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
(NE)-N-[(2R,8S,9S,10R,13R,14S,17R)-2-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 44628203
(NE)-N-[(6R,10R,13R,17R)-6-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 58430136

Frequently Asked Questions

What is the IUPAC name of (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine?
The IUPAC name of (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine (CID 11820982) is (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine.
What is the SMILES notation for (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine?
The canonical SMILES for (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine is CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3/C(=N/N)CC4=C/C(=N/N)CC[C@]4(C)C3CC[C@]12C.
What is the InChIKey of (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine?
The InChIKey is UZTSTTQWKSJVQH-SAYQFMGOSA-N. The full InChI is InChI=1S/C27H46N4/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(30-28)15-19(26)16-24(25)31-29/h15,17-18,21-23,25H,6-14,16,28-29H2,1-5H3/b30-20+,31-24+/t18-,21-,22+,23?,25?,26+,27-/m1/s1.
What are the key properties of (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine?
(E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine has a molecular weight of 426.69 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3E,10R,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]hydrazine is sourced from PubChem (CID 11820982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).