3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine

C12H19ClN2 — CID 64716420

IUPAC3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(C)(C)CC(C)Cl)c1
InChIInChI=1S/C12H19ClN2/c1-8-5-10(11(14)15-7-8)12(3,4)6-9(2)13/h5,7,9H,6H2,1-4H3,(H2,14,15)
InChIKeyOLKPGXNELNSZOH-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.27
Rot. Bonds3

About 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine

3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine (PubChem CID 64716420) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
PubChem CID64716420
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(C)(C)CC(C)Cl)c1
InChIInChI=1S/C12H19ClN2/c1-8-5-10(11(14)15-7-8)12(3,4)6-9(2)13/h5,7,9H,6H2,1-4H3,(H2,14,15)
InChIKeyOLKPGXNELNSZOH-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
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-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine (CID 64716420) is 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine is Cc1cnc(N)c(C(C)(C)CC(C)Cl)c1.
What is the InChIKey of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine?
The InChIKey is OLKPGXNELNSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-8-5-10(11(14)15-7-8)12(3,4)6-9(2)13/h5,7,9H,6H2,1-4H3,(H2,14,15).
What are the key properties of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine?
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 64716420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).