1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine

C18H24N2 — CID 107166584

IUPAC1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2ccc3cnccc3c2)CCCCC1
InChIInChI=1S/C18H24N2/c1-18(8-3-2-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,2-4,8-9,12,14H2,1H3
InChIKeyPLVPBSATNVWASP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds4

About 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine

1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 107166584) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID107166584
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2ccc3cnccc3c2)CCCCC1
InChIInChI=1S/C18H24N2/c1-18(8-3-2-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,2-4,8-9,12,14H2,1H3
InChIKeyPLVPBSATNVWASP-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine (CID 107166584) is 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine is CC1(CNCc2ccc3cnccc3c2)CCCCC1.
What is the InChIKey of 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is PLVPBSATNVWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(8-3-2-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,2-4,8-9,12,14H2,1H3.
What are the key properties of 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine?
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 107166584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).