N,3-dimethylpent-2-en-1-imine

C7H13N — CID 91072699

IUPACN,3-dimethylpent-2-en-1-imine
SMILESCCC(C)=C/C=N/C
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3/b7-5?,8-6+
InChIKeyQFKBHMIFMPELEG-LERWJUDQSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds2

About N,3-dimethylpent-2-en-1-imine

N,3-dimethylpent-2-en-1-imine (PubChem CID 91072699) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,3-dimethylpent-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethylpent-2-en-1-imine
PubChem CID91072699
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,3-dimethylpent-2-en-1-imine
SMILESCCC(C)=C/C=N/C
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3/b7-5?,8-6+
InChIKeyQFKBHMIFMPELEG-LERWJUDQSA-N
XLogP2.04
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 ≤ 52.04
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

4-Methyl-2,3-dihydropyridine
CID 53634680
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
3,3-Dimethylpyridine
CID 129722078
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
CID 134404676
(E)-2-fluoro-N-methylpent-2-en-1-imine
CID 147702126
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
(E)-3-fluoro-N-methylpent-2-en-1-imine
CID 156807601
5-fluoro-4-methyl-2H-azepine
CID 167253952

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpent-2-en-1-imine?
The IUPAC name of N,3-dimethylpent-2-en-1-imine (CID 91072699) is N,3-dimethylpent-2-en-1-imine.
What is the SMILES notation for N,3-dimethylpent-2-en-1-imine?
The canonical SMILES for N,3-dimethylpent-2-en-1-imine is CCC(C)=C/C=N/C.
What is the InChIKey of N,3-dimethylpent-2-en-1-imine?
The InChIKey is QFKBHMIFMPELEG-LERWJUDQSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3/b7-5?,8-6+.
What are the key properties of N,3-dimethylpent-2-en-1-imine?
N,3-dimethylpent-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpent-2-en-1-imine is sourced from PubChem (CID 91072699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).