N-(2,3-dimethylpenta-1,4-dienyl)ethanimine

C9H15N — CID 123735298

IUPACN-(2,3-dimethylpenta-1,4-dienyl)ethanimine
SMILESC=CC(C)C(C)=C/N=C/C
InChIInChI=1S/C9H15N/c1-5-8(3)9(4)7-10-6-2/h5-8H,1H2,2-4H3/b9-7?,10-6+
InChIKeySVNHUJUFVSTAAF-CWIDIXFLSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About N-(2,3-dimethylpenta-1,4-dienyl)ethanimine

N-(2,3-dimethylpenta-1,4-dienyl)ethanimine (PubChem CID 123735298) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2,3-dimethylpenta-1,4-dienyl)ethanimine.

Molecular Properties

Compound NameN-(2,3-dimethylpenta-1,4-dienyl)ethanimine
PubChem CID123735298
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2,3-dimethylpenta-1,4-dienyl)ethanimine
SMILESC=CC(C)C(C)=C/N=C/C
InChIInChI=1S/C9H15N/c1-5-8(3)9(4)7-10-6-2/h5-8H,1H2,2-4H3/b9-7?,10-6+
InChIKeySVNHUJUFVSTAAF-CWIDIXFLSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
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

3,4,6-trimethylhepta-1,4-diene
CID 123908234
(Z)-N-ethenyl-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 147153115
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
CID 142913403
3,4,5,6-tetramethylocta-1,6-diene
CID 54426147
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
CID 143969033
N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
CID 142059017
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
3,4-dimethylhexa-1,5-diene
CID 521244

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpenta-1,4-dienyl)ethanimine?
The IUPAC name of N-(2,3-dimethylpenta-1,4-dienyl)ethanimine (CID 123735298) is N-(2,3-dimethylpenta-1,4-dienyl)ethanimine.
What is the SMILES notation for N-(2,3-dimethylpenta-1,4-dienyl)ethanimine?
The canonical SMILES for N-(2,3-dimethylpenta-1,4-dienyl)ethanimine is C=CC(C)C(C)=C/N=C/C.
What is the InChIKey of N-(2,3-dimethylpenta-1,4-dienyl)ethanimine?
The InChIKey is SVNHUJUFVSTAAF-CWIDIXFLSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(3)9(4)7-10-6-2/h5-8H,1H2,2-4H3/b9-7?,10-6+.
What are the key properties of N-(2,3-dimethylpenta-1,4-dienyl)ethanimine?
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpenta-1,4-dienyl)ethanimine is sourced from PubChem (CID 123735298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).