4-N-(2-cyclohexylethyl)quinoline-4,7-diamine

C17H23N3 — CID 103000540

IUPAC4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NCCC3CCCCC3)ccnc2c1
InChIInChI=1S/C17H23N3/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h6-7,9,11-13H,1-5,8,10,18H2,(H,19,20)
InChIKeyFTZYDUJEHDSBKM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds4

About 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine

4-N-(2-cyclohexylethyl)quinoline-4,7-diamine (PubChem CID 103000540) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
PubChem CID103000540
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NCCC3CCCCC3)ccnc2c1
InChIInChI=1S/C17H23N3/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h6-7,9,11-13H,1-5,8,10,18H2,(H,19,20)
InChIKeyFTZYDUJEHDSBKM-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(2-cyclohexylethyl)quinoline-4,7-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

N-(2-cyclopropylethyl)-7-fluoroquinolin-4-amine
CID 133324339
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
CID 103000863
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
CID 60919358
2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
CID 103001162
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine (CID 103000540) is 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine is Nc1ccc2c(NCCC3CCCCC3)ccnc2c1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine?
The InChIKey is FTZYDUJEHDSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-14-6-7-15-16(9-11-20-17(15)12-14)19-10-8-13-4-2-1-3-5-13/h6-7,9,11-13H,1-5,8,10,18H2,(H,19,20).
What are the key properties of 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine?
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).