4-N-quinolin-2-ylpentane-2,4-diamine

C14H19N3 — CID 113376889

IUPAC4-N-quinolin-2-ylpentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10(15)9-11(2)16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9,15H2,1-2H3,(H,16,17)
InChIKeyFSFBARGFVDUZCB-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.77
Rot. Bonds4

About 4-N-quinolin-2-ylpentane-2,4-diamine

4-N-quinolin-2-ylpentane-2,4-diamine (PubChem CID 113376889) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-N-quinolin-2-ylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-quinolin-2-ylpentane-2,4-diamine
PubChem CID113376889
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-N-quinolin-2-ylpentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10(15)9-11(2)16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9,15H2,1-2H3,(H,16,17)
InChIKeyFSFBARGFVDUZCB-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-quinolin-2-ylpentane-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N-[1-(4-fluorophenyl)propan-2-yl]quinolin-2-amine
CID 63541693
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
CID 113260886
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-2-amine
CID 716012
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
4-N-phenylpentane-2,4-diamine
CID 156531414
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
CID 60651617

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-2-ylpentane-2,4-diamine?
The IUPAC name of 4-N-quinolin-2-ylpentane-2,4-diamine (CID 113376889) is 4-N-quinolin-2-ylpentane-2,4-diamine.
What is the SMILES notation for 4-N-quinolin-2-ylpentane-2,4-diamine?
The canonical SMILES for 4-N-quinolin-2-ylpentane-2,4-diamine is CC(N)CC(C)Nc1ccc2ccccc2n1.
What is the InChIKey of 4-N-quinolin-2-ylpentane-2,4-diamine?
The InChIKey is FSFBARGFVDUZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(15)9-11(2)16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-quinolin-2-ylpentane-2,4-diamine?
4-N-quinolin-2-ylpentane-2,4-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-quinolin-2-ylpentane-2,4-diamine is sourced from PubChem (CID 113376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).