1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine

C₇H₁₁ClN₂ — CID 91056081

About 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine

1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine (PubChem CID 91056081) has the molecular formula C₇H₁₁ClN₂ and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
• PubChem CID: 91056081
• Molecular Formula: C₇H₁₁ClN₂
• Molecular Weight: 158.63 g/mol
• Exact Mass: 158.06
• IUPAC Name: 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
• SMILES: CNCC1=NCC(Cl)C=C1
• InChI: InChI=1S/C7H11ClN2/c1-9-5-7-3-2-6(8)4-10-7/h2-3,6,9H,4-5H2,1H3
• InChIKey: HEASIEPBZSBPPF-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.63
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine?

The IUPAC name of 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine (CID 91056081) is 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine.

What is the SMILES notation for 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine?

The canonical SMILES for 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine is CNCC1=NCC(Cl)C=C1.

What is the InChIKey of 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine?

The InChIKey is HEASIEPBZSBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-9-5-7-3-2-6(8)4-10-7/h2-3,6,9H,4-5H2,1H3.

What are the key properties of 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine?

1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine has a molecular weight of 158.63 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 91056081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91056081 — identifiers, structure, computed properties (public domain)

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