N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine

C13H19ClN2 — CID 102637873

IUPACN-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-7-8-15-13(9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3
InChIKeyULLQMNJSQAFQFZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine

N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine (PubChem CID 102637873) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine
PubChem CID102637873
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-7-8-15-13(9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3
InChIKeyULLQMNJSQAFQFZ-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine
CID 102637783
4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
CID 79120526
N,N,4-trimethylpyridin-2-amine
CID 18797061
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
CID 61255965
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 55000664
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
CID 102637792
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine (CID 102637873) is N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)C2CCCCC2Cl)c1.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is ULLQMNJSQAFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-7-8-15-13(9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine?
N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 102637873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).