2-chloro-4,6-dimethyl-N-propylpyridin-3-amine

C10H15ClN2 — CID 89205480

IUPAC2-chloro-4,6-dimethyl-N-propylpyridin-3-amine
SMILESCCCNc1c(C)cc(C)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-4-5-12-9-7(2)6-8(3)13-10(9)11/h6,12H,4-5H2,1-3H3
InChIKeyYTAGXXQONUFPJY-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine

2-chloro-4,6-dimethyl-N-propylpyridin-3-amine (PubChem CID 89205480) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-N-propylpyridin-3-amine
PubChem CID89205480
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-4,6-dimethyl-N-propylpyridin-3-amine
SMILESCCCNc1c(C)cc(C)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-4-5-12-9-7(2)6-8(3)13-10(9)11/h6,12H,4-5H2,1-3H3
InChIKeyYTAGXXQONUFPJY-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine?
The IUPAC name of 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine (CID 89205480) is 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine.
What is the SMILES notation for 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine?
The canonical SMILES for 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine is CCCNc1c(C)cc(C)nc1Cl.
What is the InChIKey of 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine?
The InChIKey is YTAGXXQONUFPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-4-5-12-9-7(2)6-8(3)13-10(9)11/h6,12H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine?
2-chloro-4,6-dimethyl-N-propylpyridin-3-amine has a molecular weight of 198.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-N-propylpyridin-3-amine is sourced from PubChem (CID 89205480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).