4-N-cyclohexylquinoline-3,4-diamine

C15H19N3 — CID 103962725

IUPAC4-N-cyclohexylquinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NC1CCCCC1
InChIInChI=1S/C15H19N3/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,16H2,(H,17,18)
InChIKeyPTEFUOIUGPJMGE-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.56
Rot. Bonds2

About 4-N-cyclohexylquinoline-3,4-diamine

4-N-cyclohexylquinoline-3,4-diamine (PubChem CID 103962725) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-cyclohexylquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexylquinoline-3,4-diamine
PubChem CID103962725
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-cyclohexylquinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NC1CCCCC1
InChIInChI=1S/C15H19N3/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,16H2,(H,17,18)
InChIKeyPTEFUOIUGPJMGE-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine
CID 103963377
4-N-(1,1-dioxothiolan-3-yl)quinoline-3,4-diamine
CID 103962744
4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
CID 103963223
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
CID 71212336
3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628814
4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
CID 103963345
4-cyclobutyloxyquinolin-3-amine
CID 103963709

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexylquinoline-3,4-diamine?
The IUPAC name of 4-N-cyclohexylquinoline-3,4-diamine (CID 103962725) is 4-N-cyclohexylquinoline-3,4-diamine.
What is the SMILES notation for 4-N-cyclohexylquinoline-3,4-diamine?
The canonical SMILES for 4-N-cyclohexylquinoline-3,4-diamine is Nc1cnc2ccccc2c1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexylquinoline-3,4-diamine?
The InChIKey is PTEFUOIUGPJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,16H2,(H,17,18).
What are the key properties of 4-N-cyclohexylquinoline-3,4-diamine?
4-N-cyclohexylquinoline-3,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexylquinoline-3,4-diamine is sourced from PubChem (CID 103962725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).