2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine

C18H34N2 — CID 62614705

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCC2CCCCC2C1
InChIInChI=1S/C18H34N2/c1-14-7-8-18(19-2)17(11-14)13-20-10-9-15-5-3-4-6-16(15)12-20/h14-19H,3-13H2,1-2H3
InChIKeyOBRVEPGNJMOXGV-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.52
Rot. Bonds3

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 62614705) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID62614705
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCC2CCCCC2C1
InChIInChI=1S/C18H34N2/c1-14-7-8-18(19-2)17(11-14)13-20-10-9-15-5-3-4-6-16(15)12-20/h14-19H,3-13H2,1-2H3
InChIKeyOBRVEPGNJMOXGV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616797
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
[6,6-dimethyl-4-[[5-methyl-2-(methylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 114780317
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine (CID 62614705) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1CN1CCC2CCCCC2C1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is OBRVEPGNJMOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14-7-8-18(19-2)17(11-14)13-20-10-9-15-5-3-4-6-16(15)12-20/h14-19H,3-13H2,1-2H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62614705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).