N,1-dimethyl-2,5-dihydropyridin-6-imine

C7H12N2 — CID 56620788

IUPACN,1-dimethyl-2,5-dihydropyridin-6-imine
SMILESC/N=C1\CC=CCN1C
InChIInChI=1S/C7H12N2/c1-8-7-5-3-4-6-9(7)2/h3-4H,5-6H2,1-2H3/b8-7+
InChIKeyXWQHOFCTDCMOOF-BQYQJAHWSA-N
MW124.19 g/mol
LogP0.91
Rot. Bonds

About N,1-dimethyl-2,5-dihydropyridin-6-imine

N,1-dimethyl-2,5-dihydropyridin-6-imine (PubChem CID 56620788) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,1-dimethyl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN,1-dimethyl-2,5-dihydropyridin-6-imine
PubChem CID56620788
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,1-dimethyl-2,5-dihydropyridin-6-imine
SMILESC/N=C1\CC=CCN1C
InChIInChI=1S/C7H12N2/c1-8-7-5-3-4-6-9(7)2/h3-4H,5-6H2,1-2H3/b8-7+
InChIKeyXWQHOFCTDCMOOF-BQYQJAHWSA-N
XLogP0.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.91
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

CID 91247425
CID 91247425
1-Methyl-2,3-dihydropyridin-6-imine
CID 20315456
3-fluoro-N,N-dimethyl-2,3-dihydropyridin-6-amine
CID 67991612
2,3,5,6-Tetrahydroimidazo[1,2-a]pyridine
CID 45087105
1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
1,5-Dimethyl-2,5-dihydropyridin-6-imine
CID 56607400
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
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-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2,5-dihydropyridin-6-imine?
The IUPAC name of N,1-dimethyl-2,5-dihydropyridin-6-imine (CID 56620788) is N,1-dimethyl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N,1-dimethyl-2,5-dihydropyridin-6-imine?
The canonical SMILES for N,1-dimethyl-2,5-dihydropyridin-6-imine is C/N=C1\CC=CCN1C.
What is the InChIKey of N,1-dimethyl-2,5-dihydropyridin-6-imine?
The InChIKey is XWQHOFCTDCMOOF-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-7-5-3-4-6-9(7)2/h3-4H,5-6H2,1-2H3/b8-7+.
What are the key properties of N,1-dimethyl-2,5-dihydropyridin-6-imine?
N,1-dimethyl-2,5-dihydropyridin-6-imine has a molecular weight of 124.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56620788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).