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

C7H11ClN2 — CID 91056081

IUPAC1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
SMILESCNCC1=NCC(Cl)C=C1
InChIInChI=1S/C7H11ClN2/c1-9-5-7-3-2-6(8)4-10-7/h2-3,6,9H,4-5H2,1H3
InChIKeyHEASIEPBZSBPPF-UHFFFAOYSA-N
MW158.63 g/mol
LogP0.82
Rot. Bonds2

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 Name1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
PubChem CID91056081
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name1-(3-chloro-2,3-dihydropyridin-6-yl)-N-methylmethanamine
SMILESCNCC1=NCC(Cl)C=C1
InChIInChI=1S/C7H11ClN2/c1-9-5-7-3-2-6(8)4-10-7/h2-3,6,9H,4-5H2,1H3
InChIKeyHEASIEPBZSBPPF-UHFFFAOYSA-N
XLogP0.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-methyliminopent-3-en-1-amine
CID 123205396
1-(2,3-dihydropyridin-6-yl)-N-methylmethanamine
CID 123864517
(Z)-N-methyl-2-methyliminopent-3-en-1-amine
CID 143155280

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).