4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol

C16H21N3O — CID 106120233

IUPAC4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1c(NCC2CCC(O)CC2)ccc2ncccc12
InChIInChI=1S/C16H21N3O/c17-16-13-2-1-9-18-14(13)7-8-15(16)19-10-11-3-5-12(20)6-4-11/h1-2,7-9,11-12,19-20H,3-6,10,17H2
InChIKeyGSGIUOYLCGHHMF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds3

About 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol

4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106120233) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106120233
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1c(NCC2CCC(O)CC2)ccc2ncccc12
InChIInChI=1S/C16H21N3O/c17-16-13-2-1-9-18-14(13)7-8-15(16)19-10-11-3-5-12(20)6-4-11/h1-2,7-9,11-12,19-20H,3-6,10,17H2
InChIKeyGSGIUOYLCGHHMF-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120046
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
6-N-ethylquinoline-5,6-diamine
CID 43809532
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
CID 63243660

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol (CID 106120233) is 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol is Nc1c(NCC2CCC(O)CC2)ccc2ncccc12.
What is the InChIKey of 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GSGIUOYLCGHHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16-13-2-1-9-18-14(13)7-8-15(16)19-10-11-3-5-12(20)6-4-11/h1-2,7-9,11-12,19-20H,3-6,10,17H2.
What are the key properties of 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol?
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).