6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine

C14H21ClN2 — CID 62254994

IUPAC6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
SMILESCCN(c1cccc(CCl)n1)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-2-17(13-8-4-3-5-9-13)14-10-6-7-12(11-15)16-14/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyKRPFBIQWZDEALK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.98
Rot. Bonds4

About 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine

6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine (PubChem CID 62254994) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
PubChem CID62254994
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
SMILESCCN(c1cccc(CCl)n1)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-2-17(13-8-4-3-5-9-13)14-10-6-7-12(11-15)16-14/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyKRPFBIQWZDEALK-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.98
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 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine (CID 62254994) is 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine is CCN(c1cccc(CCl)n1)C1CCCCC1.
What is the InChIKey of 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine?
The InChIKey is KRPFBIQWZDEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-17(13-8-4-3-5-9-13)14-10-6-7-12(11-15)16-14/h6-7,10,13H,2-5,8-9,11H2,1H3.
What are the key properties of 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine?
6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 62254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).