N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine

C16H19ClN2 — CID 65029143

IUPACN-[(2-chlorocyclohexyl)methyl]quinolin-2-amine
SMILESClC1CCCCC1CNc1ccc2ccccc2n1
InChIInChI=1S/C16H19ClN2/c17-14-7-3-1-6-13(14)11-18-16-10-9-12-5-2-4-8-15(12)19-16/h2,4-5,8-10,13-14H,1,3,6-7,11H2,(H,18,19)
InChIKeyOXPIKNGHJQQIKN-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.44
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine

N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine (PubChem CID 65029143) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]quinolin-2-amine
PubChem CID65029143
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC NameN-[(2-chlorocyclohexyl)methyl]quinolin-2-amine
SMILESClC1CCCCC1CNc1ccc2ccccc2n1
InChIInChI=1S/C16H19ClN2/c17-14-7-3-1-6-13(14)11-18-16-10-9-12-5-2-4-8-15(12)19-16/h2,4-5,8-10,13-14H,1,3,6-7,11H2,(H,18,19)
InChIKeyOXPIKNGHJQQIKN-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
Importazole
CID 2949965
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
N-Cyclohexylquinazolin-4-amine
CID 13231190

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine (CID 65029143) is N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine is ClC1CCCCC1CNc1ccc2ccccc2n1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine?
The InChIKey is OXPIKNGHJQQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-14-7-3-1-6-13(14)11-18-16-10-9-12-5-2-4-8-15(12)19-16/h2,4-5,8-10,13-14H,1,3,6-7,11H2,(H,18,19).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine?
N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine has a molecular weight of 274.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine is sourced from PubChem (CID 65029143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).