6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine

C12H17ClN2 — CID 63587076

IUPAC6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(c1cccc(Cl)n1)C1CC1
InChIInChI=1S/C12H17ClN2/c1-9(2)8-15(10-6-7-10)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyMVLAWMFPBUIIQY-UHFFFAOYSA-N
MW224.74 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine

6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 63587076) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
PubChem CID63587076
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(c1cccc(Cl)n1)C1CC1
InChIInChI=1S/C12H17ClN2/c1-9(2)8-15(10-6-7-10)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyMVLAWMFPBUIIQY-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
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-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine (CID 63587076) is 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine is CC(C)CN(c1cccc(Cl)n1)C1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is MVLAWMFPBUIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(2)8-15(10-6-7-10)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine?
6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 224.74 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-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 63587076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).