2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol

C17H22N2O2 — CID 106768455

IUPAC2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(CO)c2ccccc12)C1CCCCC1O
InChIInChI=1S/C17H22N2O2/c1-19(15-8-4-5-9-16(15)21)17-14-7-3-2-6-13(14)12(11-20)10-18-17/h2-3,6-7,10,15-16,20-21H,4-5,8-9,11H2,1H3
InChIKeyBIBHUCJILMAVIP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds3

About 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol

2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol (PubChem CID 106768455) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
PubChem CID106768455
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(CO)c2ccccc12)C1CCCCC1O
InChIInChI=1S/C17H22N2O2/c1-19(15-8-4-5-9-16(15)21)17-14-7-3-2-6-13(14)12(11-20)10-18-17/h2-3,6-7,10,15-16,20-21H,4-5,8-9,11H2,1H3
InChIKeyBIBHUCJILMAVIP-UHFFFAOYSA-N
XLogP2.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol with MolForge

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Related Compounds

4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 102640101
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-[[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]cyclohexan-1-ol
CID 102633037
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol (CID 106768455) is 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol is CN(c1ncc(CO)c2ccccc12)C1CCCCC1O.
What is the InChIKey of 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is BIBHUCJILMAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-8-4-5-9-16(15)21)17-14-7-3-2-6-13(14)12(11-20)10-18-17/h2-3,6-7,10,15-16,20-21H,4-5,8-9,11H2,1H3.
What are the key properties of 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol?
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 106768455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).