1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol

C17H22N2O — CID 63851922

IUPAC1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccnc3ccccc23)CCCCC1
InChIInChI=1S/C17H22N2O/c20-17(9-4-1-5-10-17)13-18-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-8,11,18,20H,1,4-5,9-10,12-13H2
InChIKeyIGSZAPISHVGALG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.02
Rot. Bonds4

About 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol

1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 63851922) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID63851922
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccnc3ccccc23)CCCCC1
InChIInChI=1S/C17H22N2O/c20-17(9-4-1-5-10-17)13-18-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-8,11,18,20H,1,4-5,9-10,12-13H2
InChIKeyIGSZAPISHVGALG-UHFFFAOYSA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone
CID 116600615
4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181
N-(quinolin-4-ylmethyl)piperidin-1-amine
CID 83006979

Frequently Asked Questions

What is the IUPAC name of 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol (CID 63851922) is 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCc2ccnc3ccccc23)CCCCC1.
What is the InChIKey of 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is IGSZAPISHVGALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(9-4-1-5-10-17)13-18-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-8,11,18,20H,1,4-5,9-10,12-13H2.
What are the key properties of 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).