6-N-(2-cyclohexylethyl)quinoline-5,6-diamine

C17H23N3 — CID 60919863

IUPAC6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
SMILESNc1c(NCCC2CCCCC2)ccc2ncccc12
InChIInChI=1S/C17H23N3/c18-17-14-7-4-11-19-15(14)8-9-16(17)20-12-10-13-5-2-1-3-6-13/h4,7-9,11,13,20H,1-3,5-6,10,12,18H2
InChIKeyBCAWVLBSNUJVMS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds4

About 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine

6-N-(2-cyclohexylethyl)quinoline-5,6-diamine (PubChem CID 60919863) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
PubChem CID60919863
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
SMILESNc1c(NCCC2CCCCC2)ccc2ncccc12
InChIInChI=1S/C17H23N3/c18-17-14-7-4-11-19-15(14)8-9-16(17)20-12-10-13-5-2-1-3-6-13/h4,7-9,11,13,20H,1-3,5-6,10,12,18H2
InChIKeyBCAWVLBSNUJVMS-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine (CID 60919863) is 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine is Nc1c(NCCC2CCCCC2)ccc2ncccc12.
What is the InChIKey of 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine?
The InChIKey is BCAWVLBSNUJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-17-14-7-4-11-19-15(14)8-9-16(17)20-12-10-13-5-2-1-3-6-13/h4,7-9,11,13,20H,1-3,5-6,10,12,18H2.
What are the key properties of 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine?
6-N-(2-cyclohexylethyl)quinoline-5,6-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 6-N-(2-cyclohexylethyl)quinoline-5,6-diamine is sourced from PubChem (CID 60919863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).