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

C8H13N — CID 143342590

IUPACN,2,4-trimethylpenta-1,4-dien-3-imine
SMILESC=C(C)C(=NC)C(=C)C
InChIInChI=1S/C8H13N/c1-6(2)8(9-5)7(3)4/h1,3H2,2,4-5H3
InChIKeyLRJTZECIYIWHKM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

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

N,2,4-trimethylpenta-1,4-dien-3-imine (PubChem CID 143342590) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,2,4-trimethylpenta-1,4-dien-3-imine.

Molecular Properties

Compound NameN,2,4-trimethylpenta-1,4-dien-3-imine
PubChem CID143342590
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,2,4-trimethylpenta-1,4-dien-3-imine
SMILESC=C(C)C(=NC)C(=C)C
InChIInChI=1S/C8H13N/c1-6(2)8(9-5)7(3)4/h1,3H2,2,4-5H3
InChIKeyLRJTZECIYIWHKM-UHFFFAOYSA-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'}

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Related Compounds

4-fluoro-N,2,4-trimethylpent-1-en-3-imine
CID 126481414
N-ethyl-1-fluoro-4-methylpent-4-en-2-imine
CID 134534231
N,3-dimethylbut-3-en-2-imine
CID 58175910
N,4-dimethylpent-4-en-2-imine
CID 58722539
1-(3-Methanidylidenepentan-2-ylideneamino)ethylidenevanadium
CID 59577849
N-ethyl-2-methylidenepentan-1-imine
CID 88976095
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
N,2-dimethylpent-1-en-3-imine
CID 90982396
N,4-dimethyl-3-methylidenepent-4-en-2-imine
CID 91061393
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
N-methyl-3-methylidenepentan-2-imine
CID 123504355
2-methyl-N-propylpenta-1,4-dien-3-imine
CID 123640101

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethylpenta-1,4-dien-3-imine?
The IUPAC name of N,2,4-trimethylpenta-1,4-dien-3-imine (CID 143342590) is N,2,4-trimethylpenta-1,4-dien-3-imine.
What is the SMILES notation for N,2,4-trimethylpenta-1,4-dien-3-imine?
The canonical SMILES for N,2,4-trimethylpenta-1,4-dien-3-imine is C=C(C)C(=NC)C(=C)C.
What is the InChIKey of N,2,4-trimethylpenta-1,4-dien-3-imine?
The InChIKey is LRJTZECIYIWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8(9-5)7(3)4/h1,3H2,2,4-5H3.
What are the key properties of N,2,4-trimethylpenta-1,4-dien-3-imine?
N,2,4-trimethylpenta-1,4-dien-3-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,2,4-trimethylpenta-1,4-dien-3-imine is sourced from PubChem (CID 143342590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).