6-chloro-N-propan-2-yl-N-propylpyridin-2-amine

C11H17ClN2 — CID 63588596

IUPAC6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1cccc(Cl)n1)C(C)C
InChIInChI=1S/C11H17ClN2/c1-4-8-14(9(2)3)11-7-5-6-10(12)13-11/h5-7,9H,4,8H2,1-3H3
InChIKeyXWBQUDBTWNHOMH-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine

6-chloro-N-propan-2-yl-N-propylpyridin-2-amine (PubChem CID 63588596) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
PubChem CID63588596
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1cccc(Cl)n1)C(C)C
InChIInChI=1S/C11H17ClN2/c1-4-8-14(9(2)3)11-7-5-6-10(12)13-11/h5-7,9H,4,8H2,1-3H3
InChIKeyXWBQUDBTWNHOMH-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.36
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-propan-2-yl-N-propylpyridin-2-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine (CID 63588596) is 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine is CCCN(c1cccc(Cl)n1)C(C)C.
What is the InChIKey of 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
The InChIKey is XWBQUDBTWNHOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-8-14(9(2)3)11-7-5-6-10(12)13-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
6-chloro-N-propan-2-yl-N-propylpyridin-2-amine has a molecular weight of 212.72 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-N-propylpyridin-2-amine is sourced from PubChem (CID 63588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).