N,2,2-trimethyl-1,4-dihydropyridin-3-imine

C8H14N2 — CID 141185006

IUPACN,2,2-trimethyl-1,4-dihydropyridin-3-imine
SMILESC/N=C1\CC=CNC1(C)C
InChIInChI=1S/C8H14N2/c1-8(2)7(9-3)5-4-6-10-8/h4,6,10H,5H2,1-3H3/b9-7+
InChIKeyFZBUNWDOEXLYMV-VQHVLOKHSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds

About N,2,2-trimethyl-1,4-dihydropyridin-3-imine

N,2,2-trimethyl-1,4-dihydropyridin-3-imine (PubChem CID 141185006) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,2,2-trimethyl-1,4-dihydropyridin-3-imine.

Molecular Properties

Compound NameN,2,2-trimethyl-1,4-dihydropyridin-3-imine
PubChem CID141185006
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,2,2-trimethyl-1,4-dihydropyridin-3-imine
SMILESC/N=C1\CC=CNC1(C)C
InChIInChI=1S/C8H14N2/c1-8(2)7(9-3)5-4-6-10-8/h4,6,10H,5H2,1-3H3/b9-7+
InChIKeyFZBUNWDOEXLYMV-VQHVLOKHSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)-2,2-dimethyl-2,3-dihydropyridinium iodide
CID 129841687
7-Methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine
CID 22959184
2,3-dimethyl-2-[(Z)-prop-1-enyl]-1H-pyrazine
CID 135336273
1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine
CID 138500116
N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine
CID 139321602
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine
CID 156796719
2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine
CID 158754569
N-(3,4-dihydropyridin-2-ylmethyl)ethanamine
CID 166814846
N-methyl-1-(3-methyl-4-methylidene-3H-pyridin-2-yl)methanamine
CID 169661916
3-[(E)-2-(1-iminopropan-2-ylideneamino)ethenyl]-N,1-dimethylcyclobutan-1-amine
CID 169998152
2,2-Dimethyl-4-pyrrolidin-1-ium-1-ylidene-1,3-dihydropyridine
CID 129841682

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1,4-dihydropyridin-3-imine?
The IUPAC name of N,2,2-trimethyl-1,4-dihydropyridin-3-imine (CID 141185006) is N,2,2-trimethyl-1,4-dihydropyridin-3-imine.
What is the SMILES notation for N,2,2-trimethyl-1,4-dihydropyridin-3-imine?
The canonical SMILES for N,2,2-trimethyl-1,4-dihydropyridin-3-imine is C/N=C1\CC=CNC1(C)C.
What is the InChIKey of N,2,2-trimethyl-1,4-dihydropyridin-3-imine?
The InChIKey is FZBUNWDOEXLYMV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)7(9-3)5-4-6-10-8/h4,6,10H,5H2,1-3H3/b9-7+.
What are the key properties of N,2,2-trimethyl-1,4-dihydropyridin-3-imine?
N,2,2-trimethyl-1,4-dihydropyridin-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1,4-dihydropyridin-3-imine is sourced from PubChem (CID 141185006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).