3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine

C14H23ClN2 — CID 61256392

IUPAC3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCCN(CC(C)C)c1nc(C)cc(C)c1CCl
InChIInChI=1S/C14H23ClN2/c1-6-17(9-10(2)3)14-13(8-15)11(4)7-12(5)16-14/h7,10H,6,8-9H2,1-5H3
InChIKeyAHSOOZJEDGJHAZ-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.92
Rot. Bonds5

About 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine

3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 61256392) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine
PubChem CID61256392
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCCN(CC(C)C)c1nc(C)cc(C)c1CCl
InChIInChI=1S/C14H23ClN2/c1-6-17(9-10(2)3)14-13(8-15)11(4)7-12(5)16-14/h7,10H,6,8-9H2,1-5H3
InChIKeyAHSOOZJEDGJHAZ-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.92
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 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine (CID 61256392) is 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine is CCN(CC(C)C)c1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is AHSOOZJEDGJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-6-17(9-10(2)3)14-13(8-15)11(4)7-12(5)16-14/h7,10H,6,8-9H2,1-5H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine?
3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 61256392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).