2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine

C17H23N3 — CID 63402589

IUPAC2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
SMILESCCC1CCCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)19-17-10-7-13-11-14(18)8-9-16(13)20-17/h7-12,15H,2-6,18H2,1H3,(H,19,20)
InChIKeyKTHJDJCCDMUNKJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds3

About 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine

2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine (PubChem CID 63402589) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
PubChem CID63402589
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
SMILESCCC1CCCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)19-17-10-7-13-11-14(18)8-9-16(13)20-17/h7-12,15H,2-6,18H2,1H3,(H,19,20)
InChIKeyKTHJDJCCDMUNKJ-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
CID 63402555
2-N-(2-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63402632
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
CID 112727442
2-[[(6-aminoquinolin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64929609
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
CID 79861402
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
4-[(6-aminoquinolin-2-yl)amino]cyclohexan-1-ol
CID 43450840
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
CID 116795796

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine (CID 63402589) is 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine is CCC1CCCCC1Nc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine?
The InChIKey is KTHJDJCCDMUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)19-17-10-7-13-11-14(18)8-9-16(13)20-17/h7-12,15H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine?
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine is sourced from PubChem (CID 63402589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).