N-(2-chlorocyclohexyl)quinolin-4-amine

C15H17ClN2 — CID 65028987

IUPACN-(2-chlorocyclohexyl)quinolin-4-amine
SMILESClC1CCCCC1Nc1ccnc2ccccc12
InChIInChI=1S/C15H17ClN2/c16-12-6-2-4-8-15(12)18-14-9-10-17-13-7-3-1-5-11(13)14/h1,3,5,7,9-10,12,15H,2,4,6,8H2,(H,17,18)
InChIKeyUEYVKTUSRORBMH-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.20
Rot. Bonds2

About N-(2-chlorocyclohexyl)quinolin-4-amine

N-(2-chlorocyclohexyl)quinolin-4-amine (PubChem CID 65028987) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)quinolin-4-amine
PubChem CID65028987
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-(2-chlorocyclohexyl)quinolin-4-amine
SMILESClC1CCCCC1Nc1ccnc2ccccc12
InChIInChI=1S/C15H17ClN2/c16-12-6-2-4-8-15(12)18-14-9-10-17-13-7-3-1-5-11(13)14/h1,3,5,7,9-10,12,15H,2,4,6,8H2,(H,17,18)
InChIKeyUEYVKTUSRORBMH-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)quinolin-4-amine?
The IUPAC name of N-(2-chlorocyclohexyl)quinolin-4-amine (CID 65028987) is N-(2-chlorocyclohexyl)quinolin-4-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)quinolin-4-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)quinolin-4-amine is ClC1CCCCC1Nc1ccnc2ccccc12.
What is the InChIKey of N-(2-chlorocyclohexyl)quinolin-4-amine?
The InChIKey is UEYVKTUSRORBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-12-6-2-4-8-15(12)18-14-9-10-17-13-7-3-1-5-11(13)14/h1,3,5,7,9-10,12,15H,2,4,6,8H2,(H,17,18).
What are the key properties of N-(2-chlorocyclohexyl)quinolin-4-amine?
N-(2-chlorocyclohexyl)quinolin-4-amine has a molecular weight of 260.77 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)quinolin-4-amine is sourced from PubChem (CID 65028987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).