(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine

C8H13N — CID 143116223

IUPAC(2Z)-N,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-LDFAFZTOSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine

(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine (PubChem CID 143116223) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
PubChem CID143116223
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2Z)-N,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-LDFAFZTOSA-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

(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine
CID 123274452
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
ethyl (E)-4-methylimino-2-prop-1-en-2-ylbut-2-enoate
CID 145264126
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
CID 134534701
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 143694082
2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
CID 90248428

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine (CID 143116223) is (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine is C=C(C)/C(C)=C\C=N\C.
What is the InChIKey of (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The InChIKey is CBZGWJBSUXIDAM-LDFAFZTOSA-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 (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine?
(2Z)-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 (2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143116223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).