N,4-dimethylpent-2-en-1-imine

C7H13N — CID 123588697

IUPACN,4-dimethylpent-2-en-1-imine
SMILESC/N=C/C=CC(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4?,8-6+
InChIKeyFWFDJLBCJVQKQX-MJZAGPDTSA-N
MW111.19 g/mol
LogP1.90
Rot. Bonds2

About N,4-dimethylpent-2-en-1-imine

N,4-dimethylpent-2-en-1-imine (PubChem CID 123588697) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,4-dimethylpent-2-en-1-imine.

Molecular Properties

Compound NameN,4-dimethylpent-2-en-1-imine
PubChem CID123588697
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,4-dimethylpent-2-en-1-imine
SMILESC/N=C/C=CC(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4?,8-6+
InChIKeyFWFDJLBCJVQKQX-MJZAGPDTSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine
CID 13347754
4-Methyl-2,3-dihydropyridine
CID 53634680
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
3,3-Dimethylpyridine
CID 129722078
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
6-Fluoro-3-methyl-2,3-dihydropyridine
CID 123919099
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(E)-3-fluoro-N-methylpent-2-en-1-imine
CID 156807601
2-fluoro-4-methyl-4H-azepine
CID 168934095
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpent-2-en-1-imine?
The IUPAC name of N,4-dimethylpent-2-en-1-imine (CID 123588697) is N,4-dimethylpent-2-en-1-imine.
What is the SMILES notation for N,4-dimethylpent-2-en-1-imine?
The canonical SMILES for N,4-dimethylpent-2-en-1-imine is C/N=C/C=CC(C)C.
What is the InChIKey of N,4-dimethylpent-2-en-1-imine?
The InChIKey is FWFDJLBCJVQKQX-MJZAGPDTSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4?,8-6+.
What are the key properties of N,4-dimethylpent-2-en-1-imine?
N,4-dimethylpent-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpent-2-en-1-imine is sourced from PubChem (CID 123588697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).