2-N-(4-propylcyclohexyl)quinoline-2,6-diamine

C18H25N3 — CID 63402555

IUPAC2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
SMILESCCCC1CCC(Nc2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C18H25N3/c1-2-3-13-4-8-16(9-5-13)20-18-11-6-14-12-15(19)7-10-17(14)21-18/h6-7,10-13,16H,2-5,8-9,19H2,1H3,(H,20,21)
InChIKeyTXCBFHNHCWDNDR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.59
Rot. Bonds4

About 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine

2-N-(4-propylcyclohexyl)quinoline-2,6-diamine (PubChem CID 63402555) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
PubChem CID63402555
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
SMILESCCCC1CCC(Nc2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C18H25N3/c1-2-3-13-4-8-16(9-5-13)20-18-11-6-14-12-15(19)7-10-17(14)21-18/h6-7,10-13,16H,2-5,8-9,19H2,1H3,(H,20,21)
InChIKeyTXCBFHNHCWDNDR-UHFFFAOYSA-N
XLogP4.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.59
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 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine (CID 63402555) is 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine is CCCC1CCC(Nc2ccc3cc(N)ccc3n2)CC1.
What is the InChIKey of 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine?
The InChIKey is TXCBFHNHCWDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-3-13-4-8-16(9-5-13)20-18-11-6-14-12-15(19)7-10-17(14)21-18/h6-7,10-13,16H,2-5,8-9,19H2,1H3,(H,20,21).
What are the key properties of 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine?
2-N-(4-propylcyclohexyl)quinoline-2,6-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propylcyclohexyl)quinoline-2,6-diamine is sourced from PubChem (CID 63402555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).