3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol

C15H21N3O — CID 65102906

IUPAC3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc2ncccc2c1N
InChIInChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-7-12-11(14(13)16)6-5-9-17-12/h5-9,18-19H,3-4,10,16H2,1-2H3
InChIKeyKAGCWOMSXMCKTQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds5

About 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol

3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol (PubChem CID 65102906) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
PubChem CID65102906
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc2ncccc2c1N
InChIInChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-7-12-11(14(13)16)6-5-9-17-12/h5-9,18-19H,3-4,10,16H2,1-2H3
InChIKeyKAGCWOMSXMCKTQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
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

6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102956
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol (CID 65102906) is 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccc2ncccc2c1N.
What is the InChIKey of 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol?
The InChIKey is KAGCWOMSXMCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-7-12-11(14(13)16)6-5-9-17-12/h5-9,18-19H,3-4,10,16H2,1-2H3.
What are the key properties of 3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol?
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol has a molecular weight of 259.35 g/mol, XLogP of 2.78, 5 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]methyl]pentan-3-ol is sourced from PubChem (CID 65102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).