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

C17H23N3 — CID 103000682

IUPAC4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
SMILESCCC1CCCCC1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)20-16-9-10-19-17-11-13(18)7-8-14(16)17/h7-12,15H,2-6,18H2,1H3,(H,19,20)
InChIKeyPPWXFDAMEVUPIP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds3

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

4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine (PubChem CID 103000682) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
PubChem CID103000682
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
SMILESCCC1CCCCC1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)20-16-9-10-19-17-11-13(18)7-8-14(16)17/h7-12,15H,2-6,18H2,1H3,(H,19,20)
InChIKeyPPWXFDAMEVUPIP-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine (CID 103000682) is 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine is CCC1CCCCC1Nc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine?
The InChIKey is PPWXFDAMEVUPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-12-5-3-4-6-15(12)20-16-9-10-19-17-11-13(18)7-8-14(16)17/h7-12,15H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine?
4-N-(2-ethylcyclohexyl)quinoline-4,7-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 4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).