1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine

C9H14N2 — CID 123751532

IUPAC1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine
SMILESC/N=C(\C)CC1=NCCC=C1
InChIInChI=1S/C9H14N2/c1-8(10-2)7-9-5-3-4-6-11-9/h3,5H,4,6-7H2,1-2H3/b10-8+
InChIKeyWLUMDNJUTBQQOX-CSKARUKUSA-N
MW150.22 g/mol
LogP1.87
Rot. Bonds2

About 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine

1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine (PubChem CID 123751532) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine
PubChem CID123751532
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine
SMILESC/N=C(\C)CC1=NCCC=C1
InChIInChI=1S/C9H14N2/c1-8(10-2)7-9-5-3-4-6-11-9/h3,5H,4,6-7H2,1-2H3/b10-8+
InChIKeyWLUMDNJUTBQQOX-CSKARUKUSA-N
XLogP1.87
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 ≤ 51.87
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-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine?
The IUPAC name of 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine (CID 123751532) is 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine?
The canonical SMILES for 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine is C/N=C(\C)CC1=NCCC=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine?
The InChIKey is WLUMDNJUTBQQOX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(10-2)7-9-5-3-4-6-11-9/h3,5H,4,6-7H2,1-2H3/b10-8+.
What are the key properties of 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine?
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine is sourced from PubChem (CID 123751532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).