N,3,4-trimethylpenta-2,4-dien-1-imine

C8H13N — CID 123912996

IUPACN,3,4-trimethylpenta-2,4-dien-1-imine
SMILESC=C(C)C(C)=C/C=N/C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-6H,1H2,2-4H3/b8-5?,9-6+
InChIKeyCBZGWJBSUXIDAM-QTQRZSEBSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About N,3,4-trimethylpenta-2,4-dien-1-imine

N,3,4-trimethylpenta-2,4-dien-1-imine (PubChem CID 123912996) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,3,4-trimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN,3,4-trimethylpenta-2,4-dien-1-imine
PubChem CID123912996
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,3,4-trimethylpenta-2,4-dien-1-imine
SMILESC=C(C)C(C)=C/C=N/C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-6H,1H2,2-4H3/b8-5?,9-6+
InChIKeyCBZGWJBSUXIDAM-QTQRZSEBSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Lithium 3-methylpyridin-2-ide
CID 16177570
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethylpenta-2,4-dien-1-imine?
The IUPAC name of N,3,4-trimethylpenta-2,4-dien-1-imine (CID 123912996) is N,3,4-trimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for N,3,4-trimethylpenta-2,4-dien-1-imine?
The canonical SMILES for N,3,4-trimethylpenta-2,4-dien-1-imine is C=C(C)C(C)=C/C=N/C.
What is the InChIKey of N,3,4-trimethylpenta-2,4-dien-1-imine?
The InChIKey is CBZGWJBSUXIDAM-QTQRZSEBSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-6H,1H2,2-4H3/b8-5?,9-6+.
What are the key properties of N,3,4-trimethylpenta-2,4-dien-1-imine?
N,3,4-trimethylpenta-2,4-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 123912996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).