4-N-(cyclopentylmethyl)quinoline-3,4-diamine

C15H19N3 — CID 113359398

IUPAC4-N-(cyclopentylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CCCC1
InChIInChI=1S/C15H19N3/c16-13-10-17-14-8-4-3-7-12(14)15(13)18-9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9,16H2,(H,17,18)
InChIKeyZWVGLEPZWYRUOV-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.42
Rot. Bonds3

About 4-N-(cyclopentylmethyl)quinoline-3,4-diamine

4-N-(cyclopentylmethyl)quinoline-3,4-diamine (PubChem CID 113359398) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)quinoline-3,4-diamine
PubChem CID113359398
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-(cyclopentylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CCCC1
InChIInChI=1S/C15H19N3/c16-13-10-17-14-8-4-3-7-12(14)15(13)18-9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9,16H2,(H,17,18)
InChIKeyZWVGLEPZWYRUOV-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103963415
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
N-[(4-aminocyclohexyl)methyl]acridin-9-amine
CID 59230418

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)quinoline-3,4-diamine (CID 113359398) is 4-N-(cyclopentylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCC1CCCC1.
What is the InChIKey of 4-N-(cyclopentylmethyl)quinoline-3,4-diamine?
The InChIKey is ZWVGLEPZWYRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-13-10-17-14-8-4-3-7-12(14)15(13)18-9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9,16H2,(H,17,18).
What are the key properties of 4-N-(cyclopentylmethyl)quinoline-3,4-diamine?
4-N-(cyclopentylmethyl)quinoline-3,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 113359398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).