8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol

C24H40N2O — CID 163048392

IUPAC8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol
SMILESCC1C2CC3C4CC=C5CC(N(C)C)CCC5(C)C4CC(O)C3(C2)CN1C
InChIInChI=1S/C24H40N2O/c1-15-16-10-21-19-7-6-17-11-18(25(3)4)8-9-23(17,2)20(19)12-22(27)24(21,13-16)14-26(15)5/h6,15-16,18-22,27H,7-14H2,1-5H3
InChIKeyGYABRMDCDGXMRC-UHFFFAOYSA-N
MW372.60 g/mol
LogP3.78
Rot. Bonds1

About 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol

8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol (PubChem CID 163048392) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol
PubChem CID163048392
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol
SMILESCC1C2CC3C4CC=C5CC(N(C)C)CCC5(C)C4CC(O)C3(C2)CN1C
InChIInChI=1S/C24H40N2O/c1-15-16-10-21-19-7-6-17-11-18(25(3)4)8-9-23(17,2)20(19)12-22(27)24(21,13-16)14-26(15)5/h6,15-16,18-22,27H,7-14H2,1-5H3
InChIKeyGYABRMDCDGXMRC-UHFFFAOYSA-N
XLogP3.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,9S,10R,13R,16S)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-ol
CID 5318070
(1S,2R,5S,6S,9R,12R,13S,16R)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
CID 162847174
N-methyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]cyclopropanecarboxamide
CID 25053284
4-chloro-N-methyl-N-[(1R,2S,5S,6S,9R,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]benzamide
CID 11540263
[3-methyl-1-[methyl-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]amino]-1-oxobutan-2-yl] acetate
CID 59678854
(2R)-N-methyl-2-phenyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]propanamide
CID 71121280
2-amino-3-cyano-N-methyl-N-(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl)propanamide
CID 67423913
(1S)-3-chloro-4-fluoro-N-methyl-N-[(1R,2S,5S,6S,9R,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]cyclohexane-1-carboxamide
CID 143124932
(2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,9R,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]butanamide
CID 11496226
2-hydroxy-N,4-dimethyl-N-(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl)pentanamide
CID 67423562
N-methyl-N-[(1R,2S,5S,6S,9R,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]-1,2-oxazole-5-carboxamide
CID 11510429
3-hydroxypropyl N-methyl-N-[(1R,2S,5S,6S,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]carbamate
CID 59678794

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol?
The IUPAC name of 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol (CID 163048392) is 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol.
What is the SMILES notation for 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol?
The canonical SMILES for 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol is CC1C2CC3C4CC=C5CC(N(C)C)CCC5(C)C4CC(O)C3(C2)CN1C.
What is the InChIKey of 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol?
The InChIKey is GYABRMDCDGXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-15-16-10-21-19-7-6-17-11-18(25(3)4)8-9-23(17,2)20(19)12-22(27)24(21,13-16)14-26(15)5/h6,15-16,18-22,27H,7-14H2,1-5H3.
What are the key properties of 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol?
8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol has a molecular weight of 372.60 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-5,17,18-trimethyl-18-azapentacyclo[14.3.1.01,14.04,13.05,10]icos-10-en-2-ol is sourced from PubChem (CID 163048392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).