3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol

C13H17N3O — CID 65034635

IUPAC3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccc2ncccc2c1N
InChIInChI=1S/C13H17N3O/c1-9(8-17)7-16-12-5-4-11-10(13(12)14)3-2-6-15-11/h2-6,9,16-17H,7-8,14H2,1H3
InChIKeyCCJDMADZNVZRPN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds4

About 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol

3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol (PubChem CID 65034635) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
PubChem CID65034635
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccc2ncccc2c1N
InChIInChI=1S/C13H17N3O/c1-9(8-17)7-16-12-5-4-11-10(13(12)14)3-2-6-15-11/h2-6,9,16-17H,7-8,14H2,1H3
InChIKeyCCJDMADZNVZRPN-UHFFFAOYSA-N
XLogP1.86
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
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

6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine
CID 62990608
6-N-ethylquinoline-5,6-diamine
CID 43809532
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol (CID 65034635) is 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol is CC(CO)CNc1ccc2ncccc2c1N.
What is the InChIKey of 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol?
The InChIKey is CCJDMADZNVZRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(8-17)7-16-12-5-4-11-10(13(12)14)3-2-6-15-11/h2-6,9,16-17H,7-8,14H2,1H3.
What are the key properties of 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol?
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 65034635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).