6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine

C11H15ClN2 — CID 63588402

IUPAC6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
SMILESCC(C1CC1)N(C)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2/c1-8(9-6-7-9)14(2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIJYHJQAMNQDPJF-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.97
Rot. Bonds3

About 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine

6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine (PubChem CID 63588402) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
PubChem CID63588402
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
SMILESCC(C1CC1)N(C)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2/c1-8(9-6-7-9)14(2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIJYHJQAMNQDPJF-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine (CID 63588402) is 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine is CC(C1CC1)N(C)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The InChIKey is IJYHJQAMNQDPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(9-6-7-9)14(2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine has a molecular weight of 210.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63588402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).