2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol

C15H19N3O — CID 103963415

IUPAC2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1cnc2ccccc2c1NCC1CCCC1O
InChIInChI=1S/C15H19N3O/c16-12-9-17-13-6-2-1-5-11(13)15(12)18-8-10-4-3-7-14(10)19/h1-2,5-6,9-10,14,19H,3-4,7-8,16H2,(H,17,18)
InChIKeyVRAINYNGAVKDNE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds3

About 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol

2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103963415) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103963415
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1cnc2ccccc2c1NCC1CCCC1O
InChIInChI=1S/C15H19N3O/c16-12-9-17-13-6-2-1-5-11(13)15(12)18-8-10-4-3-7-14(10)19/h1-2,5-6,9-10,14,19H,3-4,7-8,16H2,(H,17,18)
InChIKeyVRAINYNGAVKDNE-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
CID 103963155
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol (CID 103963415) is 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol is Nc1cnc2ccccc2c1NCC1CCCC1O.
What is the InChIKey of 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is VRAINYNGAVKDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-12-9-17-13-6-2-1-5-11(13)15(12)18-8-10-4-3-7-14(10)19/h1-2,5-6,9-10,14,19H,3-4,7-8,16H2,(H,17,18).
What are the key properties of 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol?
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103963415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).