1-methyl-N-propyl-2,5-dihydropyridin-6-imine

C9H16N2 — CID 56633011

IUPAC1-methyl-N-propyl-2,5-dihydropyridin-6-imine
SMILESCCC/N=C1\CC=CCN1C
InChIInChI=1S/C9H16N2/c1-3-7-10-9-6-4-5-8-11(9)2/h4-5H,3,6-8H2,1-2H3/b10-9+
InChIKeyWXOXYWXGNRIQRN-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-N-propyl-2,5-dihydropyridin-6-imine

1-methyl-N-propyl-2,5-dihydropyridin-6-imine (PubChem CID 56633011) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-N-propyl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-methyl-N-propyl-2,5-dihydropyridin-6-imine
PubChem CID56633011
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-N-propyl-2,5-dihydropyridin-6-imine
SMILESCCC/N=C1\CC=CCN1C
InChIInChI=1S/C9H16N2/c1-3-7-10-9-6-4-5-8-11(9)2/h4-5H,3,6-8H2,1-2H3/b10-9+
InChIKeyWXOXYWXGNRIQRN-MDZDMXLPSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fqtlnstuikobcg-wuzdhupesa-
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N-but-3-enyl-N',2-dicyano-N-hept-3-enylethanimidamide
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1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
1-cyclohexyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56607994
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
1-Methyl-2,5-dihydropyridin-6-imine
CID 56616795
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013
1-methyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56620050
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
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CID 56625185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-2,5-dihydropyridin-6-imine?
The IUPAC name of 1-methyl-N-propyl-2,5-dihydropyridin-6-imine (CID 56633011) is 1-methyl-N-propyl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for 1-methyl-N-propyl-2,5-dihydropyridin-6-imine?
The canonical SMILES for 1-methyl-N-propyl-2,5-dihydropyridin-6-imine is CCC/N=C1\CC=CCN1C.
What is the InChIKey of 1-methyl-N-propyl-2,5-dihydropyridin-6-imine?
The InChIKey is WXOXYWXGNRIQRN-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-7-10-9-6-4-5-8-11(9)2/h4-5H,3,6-8H2,1-2H3/b10-9+.
What are the key properties of 1-methyl-N-propyl-2,5-dihydropyridin-6-imine?
1-methyl-N-propyl-2,5-dihydropyridin-6-imine has a molecular weight of 152.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56633011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).