1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine

C9H14N2 — CID 146521406

IUPAC1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)C1=NC=CCC1
InChIInChI=1S/C9H14N2/c1-3-8(10-2)9-6-4-5-7-11-9/h5,7H,3-4,6H2,1-2H3/b10-8+
InChIKeyALOKWCZAZZXCJG-CSKARUKUSA-N
MW150.22 g/mol
LogP2.22
Rot. Bonds2

About 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine

1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine (PubChem CID 146521406) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine
PubChem CID146521406
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)C1=NC=CCC1
InChIInChI=1S/C9H14N2/c1-3-8(10-2)9-6-4-5-7-11-9/h5,7H,3-4,6H2,1-2H3/b10-8+
InChIKeyALOKWCZAZZXCJG-CSKARUKUSA-N
XLogP2.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine (CID 146521406) is 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine is CC/C(=N\C)C1=NC=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine?
The InChIKey is ALOKWCZAZZXCJG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(10-2)9-6-4-5-7-11-9/h5,7H,3-4,6H2,1-2H3/b10-8+.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine?
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine has a molecular weight of 150.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine is sourced from PubChem (CID 146521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).