4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine

C15H23ClN2 — CID 54948524

IUPAC4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2cc(CCl)ccn2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-12-4-6-14(7-5-12)18(2)15-10-13(11-16)8-9-17-15/h8-10,12,14H,3-7,11H2,1-2H3
InChIKeyIITQXGNCCVRAFI-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.23
Rot. Bonds4

About 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine

4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine (PubChem CID 54948524) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
PubChem CID54948524
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2cc(CCl)ccn2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-12-4-6-14(7-5-12)18(2)15-10-13(11-16)8-9-17-15/h8-10,12,14H,3-7,11H2,1-2H3
InChIKeyIITQXGNCCVRAFI-UHFFFAOYSA-N
XLogP4.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.23
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 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine (CID 54948524) is 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine is CCC1CCC(N(C)c2cc(CCl)ccn2)CC1.
What is the InChIKey of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The InChIKey is IITQXGNCCVRAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-12-4-6-14(7-5-12)18(2)15-10-13(11-16)8-9-17-15/h8-10,12,14H,3-7,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine has a molecular weight of 266.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 54948524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).