2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol

C16H21N3O — CID 102631412

IUPAC2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc2ncccc2c1N)C1CCCCC1O
InChIInChI=1S/C16H21N3O/c1-19(13-6-2-3-7-15(13)20)14-9-8-12-11(16(14)17)5-4-10-18-12/h4-5,8-10,13,15,20H,2-3,6-7,17H2,1H3
InChIKeyQVEQFKBKNKSAIJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds2

About 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol

2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102631412) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
PubChem CID102631412
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc2ncccc2c1N)C1CCCCC1O
InChIInChI=1S/C16H21N3O/c1-19(13-6-2-3-7-15(13)20)14-9-8-12-11(16(14)17)5-4-10-18-12/h4-5,8-10,13,15,20H,2-3,6-7,17H2,1H3
InChIKeyQVEQFKBKNKSAIJ-UHFFFAOYSA-N
XLogP2.56
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]cyclohexan-1-ol
CID 102636087

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol (CID 102631412) is 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol is CN(c1ccc2ncccc2c1N)C1CCCCC1O.
What is the InChIKey of 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is QVEQFKBKNKSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(13-6-2-3-7-15(13)20)14-9-8-12-11(16(14)17)5-4-10-18-12/h4-5,8-10,13,15,20H,2-3,6-7,17H2,1H3.
What are the key properties of 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol?
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).