(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline

C24H41N — CID 164681334

IUPAC(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline
SMILESCN1C2CCCCC2[C@H](C2CCCCC2)C2(C)C[C@@H]3CCCCC3C12
InChIInChI=1S/C24H41N/c1-24-16-18-12-6-7-13-19(18)23(24)25(2)21-15-9-8-14-20(21)22(24)17-10-4-3-5-11-17/h17-23H,3-16H2,1-2H3/t18-,19?,20?,21?,22-,23?,24?/m0/s1
InChIKeyILRXCDXTWHHTAH-DRQYRFGPSA-N
MW343.60 g/mol
LogP6.27
Rot. Bonds1

About (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline

(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline (PubChem CID 164681334) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline.

Molecular Properties

Compound Name(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline
PubChem CID164681334
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline
SMILESCN1C2CCCCC2[C@H](C2CCCCC2)C2(C)C[C@@H]3CCCCC3C12
InChIInChI=1S/C24H41N/c1-24-16-18-12-6-7-13-19(18)23(24)25(2)21-15-9-8-14-20(21)22(24)17-10-4-3-5-11-17/h17-23H,3-16H2,1-2H3/t18-,19?,20?,21?,22-,23?,24?/m0/s1
InChIKeyILRXCDXTWHHTAH-DRQYRFGPSA-N
XLogP6.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline 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,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline?
The IUPAC name of (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline (CID 164681334) is (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline.
What is the SMILES notation for (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline?
The canonical SMILES for (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline is CN1C2CCCCC2[C@H](C2CCCCC2)C2(C)C[C@@H]3CCCCC3C12.
What is the InChIKey of (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline?
The InChIKey is ILRXCDXTWHHTAH-DRQYRFGPSA-N. The full InChI is InChI=1S/C24H41N/c1-24-16-18-12-6-7-13-19(18)23(24)25(2)21-15-9-8-14-20(21)22(24)17-10-4-3-5-11-17/h17-23H,3-16H2,1-2H3/t18-,19?,20?,21?,22-,23?,24?/m0/s1.
What are the key properties of (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline?
(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline has a molecular weight of 343.60 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline is sourced from PubChem (CID 164681334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).