2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol

C16H21N3O — CID 103001945

IUPAC2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc2cc(N)ccc12)C1CCCCC1O
InChIInChI=1S/C16H21N3O/c1-19(15-4-2-3-5-16(15)20)14-8-9-18-13-10-11(17)6-7-12(13)14/h6-10,15-16,20H,2-5,17H2,1H3
InChIKeyGPYOVIATWCTUNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds2

About 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol

2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 103001945) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID103001945
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc2cc(N)ccc12)C1CCCCC1O
InChIInChI=1S/C16H21N3O/c1-19(15-4-2-3-5-16(15)20)14-8-9-18-13-10-11(17)6-7-12(13)14/h6-10,15-16,20H,2-5,17H2,1H3
InChIKeyGPYOVIATWCTUNZ-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

4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497
4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
CID 103000505
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
CID 102631363
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
CID 136809356
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol (CID 103001945) is 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1ccnc2cc(N)ccc12)C1CCCCC1O.
What is the InChIKey of 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is GPYOVIATWCTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(15-4-2-3-5-16(15)20)14-8-9-18-13-10-11(17)6-7-12(13)14/h6-10,15-16,20H,2-5,17H2,1H3.
What are the key properties of 2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(7-aminoquinolin-4-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-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 103001945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).