[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol

C18H24N2O — CID 115924504

IUPAC[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cncc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-14-6-8-18(13-21,9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-5,10-11,14,20-21H,6-9,12-13H2,1H3
InChIKeyFEZTVDPJCIMESG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.27
Rot. Bonds4

About [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol

[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol (PubChem CID 115924504) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
PubChem CID115924504
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cncc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-14-6-8-18(13-21,9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-5,10-11,14,20-21H,6-9,12-13H2,1H3
InChIKeyFEZTVDPJCIMESG-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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Frequently Asked Questions

What is the IUPAC name of [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol (CID 115924504) is [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCc2cncc3ccccc23)CC1.
What is the InChIKey of [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is FEZTVDPJCIMESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-6-8-18(13-21,9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-5,10-11,14,20-21H,6-9,12-13H2,1H3.
What are the key properties of [1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol?
[1-(isoquinolin-4-ylmethylamino)-4-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-4-ylmethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 115924504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).