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

C15H21N3 — CID 103963269

IUPAC4-N-(4-methylpentyl)quinoline-3,4-diamine
SMILESCC(C)CCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-11(2)6-5-9-17-15-12-7-3-4-8-14(12)18-10-13(15)16/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyVWXOSOONMHNLLG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.67
Rot. Bonds5

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

4-N-(4-methylpentyl)quinoline-3,4-diamine (PubChem CID 103963269) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-N-(4-methylpentyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentyl)quinoline-3,4-diamine
PubChem CID103963269
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-N-(4-methylpentyl)quinoline-3,4-diamine
SMILESCC(C)CCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-11(2)6-5-9-17-15-12-7-3-4-8-14(12)18-10-13(15)16/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyVWXOSOONMHNLLG-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(4-methylpentyl)quinoline-3,4-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

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159
4-N-(5-phenylsulfanylpentyl)quinoline-3,4-diamine
CID 86588279
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
CID 103963489
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(4-methylpentyl)quinoline-3,4-diamine (CID 103963269) is 4-N-(4-methylpentyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(4-methylpentyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(4-methylpentyl)quinoline-3,4-diamine is CC(C)CCCNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(4-methylpentyl)quinoline-3,4-diamine?
The InChIKey is VWXOSOONMHNLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)6-5-9-17-15-12-7-3-4-8-14(12)18-10-13(15)16/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-(4-methylpentyl)quinoline-3,4-diamine?
4-N-(4-methylpentyl)quinoline-3,4-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).