5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine

C13H21ClN2 — CID 81233598

IUPAC5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
SMILESCCN(CC(C)C)c1cc(C)ncc1CCl
InChIInChI=1S/C13H21ClN2/c1-5-16(9-10(2)3)13-6-11(4)15-8-12(13)7-14/h6,8,10H,5,7,9H2,1-4H3
InChIKeyUMGTUKRCAFILMK-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.61
Rot. Bonds5

About 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine

5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine (PubChem CID 81233598) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
PubChem CID81233598
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
SMILESCCN(CC(C)C)c1cc(C)ncc1CCl
InChIInChI=1S/C13H21ClN2/c1-5-16(9-10(2)3)13-6-11(4)15-8-12(13)7-14/h6,8,10H,5,7,9H2,1-4H3
InChIKeyUMGTUKRCAFILMK-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.61
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-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine (CID 81233598) is 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine is CCN(CC(C)C)c1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine?
The InChIKey is UMGTUKRCAFILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-5-16(9-10(2)3)13-6-11(4)15-8-12(13)7-14/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine?
5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine has a molecular weight of 240.78 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine is sourced from PubChem (CID 81233598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).