6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine

C16H27ClN2 — CID 113380682

IUPAC6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(C)c1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C16H27ClN2/c1-12(2)7-8-19(6)15-10-13(11-17)9-14(18-15)16(3,4)5/h9-10,12H,7-8,11H2,1-6H3
InChIKeyBCSBMHMZEWOSBT-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.60
Rot. Bonds5

About 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine

6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 113380682) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID113380682
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(C)c1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C16H27ClN2/c1-12(2)7-8-19(6)15-10-13(11-17)9-14(18-15)16(3,4)5/h9-10,12H,7-8,11H2,1-6H3
InChIKeyBCSBMHMZEWOSBT-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine (CID 113380682) is 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(C)c1cc(CCl)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is BCSBMHMZEWOSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-12(2)7-8-19(6)15-10-13(11-17)9-14(18-15)16(3,4)5/h9-10,12H,7-8,11H2,1-6H3.
What are the key properties of 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine?
6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 282.86 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 113380682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).