2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine

C18H34N2 — CID 102726068

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H34N2/c1-18(2)11-10-15(19-3)17(13-18)20-12-6-8-14-7-4-5-9-16(14)20/h14-17,19H,4-13H2,1-3H3/t14-,15?,16-,17?/m1/s1
InChIKeyRCXGKGCMDOTFAZ-KZYLPZIUSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds2

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 102726068) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine
PubChem CID102726068
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H34N2/c1-18(2)11-10-15(19-3)17(13-18)20-12-6-8-14-7-4-5-9-16(14)20/h14-17,19H,4-13H2,1-3H3/t14-,15?,16-,17?/m1/s1
InChIKeyRCXGKGCMDOTFAZ-KZYLPZIUSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine 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

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylcyclohexan-1-amine
CID 65320543
N,4,4-trimethyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052319
2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63467827
N,4,4-trimethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexan-1-amine
CID 114592713
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
CID 63219990

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine (CID 102726068) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is RCXGKGCMDOTFAZ-KZYLPZIUSA-N. The full InChI is InChI=1S/C18H34N2/c1-18(2)11-10-15(19-3)17(13-18)20-12-6-8-14-7-4-5-9-16(14)20/h14-17,19H,4-13H2,1-3H3/t14-,15?,16-,17?/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102726068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).