[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol

C18H24N2O — CID 107038312

IUPAC[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc3cnccc3c2)C1
InChIInChI=1S/C18H24N2O/c1-14-3-2-7-18(10-14,13-21)20-11-15-4-5-17-12-19-8-6-16(17)9-15/h4-6,8-9,12,14,20-21H,2-3,7,10-11,13H2,1H3
InChIKeyWEANFSPOEYFQBG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.27
Rot. Bonds4

About [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol

[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol (PubChem CID 107038312) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol
PubChem CID107038312
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc3cnccc3c2)C1
InChIInChI=1S/C18H24N2O/c1-14-3-2-7-18(10-14,13-21)20-11-15-4-5-17-12-19-8-6-16(17)9-15/h4-6,8-9,12,14,20-21H,2-3,7,10-11,13H2,1H3
InChIKeyWEANFSPOEYFQBG-UHFFFAOYSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 65030473
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[3-methyl-1-[(3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62553332
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023

Frequently Asked Questions

What is the IUPAC name of [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol (CID 107038312) is [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2ccc3cnccc3c2)C1.
What is the InChIKey of [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is WEANFSPOEYFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-3-2-7-18(10-14,13-21)20-11-15-4-5-17-12-19-8-6-16(17)9-15/h4-6,8-9,12,14,20-21H,2-3,7,10-11,13H2,1H3.
What are the key properties of [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol?
[1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 284.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(isoquinolin-6-ylmethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 107038312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).