[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol

C16H21N3O — CID 106359109

IUPAC[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
SMILESNc1ccc(NC2CCCCC2CO)c2ncccc12
InChIInChI=1S/C16H21N3O/c17-13-7-8-15(16-12(13)5-3-9-18-16)19-14-6-2-1-4-11(14)10-20/h3,5,7-9,11,14,19-20H,1-2,4,6,10,17H2
InChIKeyIMIGTCJJGHLWNQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds3

About [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol

[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol (PubChem CID 106359109) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
PubChem CID106359109
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
SMILESNc1ccc(NC2CCCCC2CO)c2ncccc12
InChIInChI=1S/C16H21N3O/c17-13-7-8-15(16-12(13)5-3-9-18-16)19-14-6-2-1-4-11(14)10-20/h3,5,7-9,11,14,19-20H,1-2,4,6,10,17H2
InChIKeyIMIGTCJJGHLWNQ-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

[2-[(8-aminoquinolin-4-yl)amino]cyclohexyl]methanol
CID 106359240
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 106358956
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
CID 114502970
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine
CID 64740512
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258

Frequently Asked Questions

What is the IUPAC name of [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol (CID 106359109) is [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol is Nc1ccc(NC2CCCCC2CO)c2ncccc12.
What is the InChIKey of [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol?
The InChIKey is IMIGTCJJGHLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-7-8-15(16-12(13)5-3-9-18-16)19-14-6-2-1-4-11(14)10-20/h3,5,7-9,11,14,19-20H,1-2,4,6,10,17H2.
What are the key properties of [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol?
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol 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 [2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106359109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).