5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine

C14H21ClN2 — CID 80627987

IUPAC5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CCl)cnc1N(C)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyFKRVOMDMBRCWTN-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.90
Rot. Bonds3

About 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine

5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine (PubChem CID 80627987) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
PubChem CID80627987
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CCl)cnc1N(C)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyFKRVOMDMBRCWTN-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine (CID 80627987) is 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine is Cc1cc(CCl)cnc1N(C)C1CCCCC1.
What is the InChIKey of 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The InChIKey is FKRVOMDMBRCWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80627987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).