N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine

C9H15N — CID 142017453

IUPACN-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine
SMILESC=C(C)C(/N=C/C)=C(C)C
InChIInChI=1S/C9H15N/c1-6-10-9(7(2)3)8(4)5/h6H,2H2,1,3-5H3/b10-6+
InChIKeyOAVRJOIPMREQKG-UXBLZVDNSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds2

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

N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine (PubChem CID 142017453) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine.

Molecular Properties

Compound NameN-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine
PubChem CID142017453
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine
SMILESC=C(C)C(/N=C/C)=C(C)C
InChIInChI=1S/C9H15N/c1-6-10-9(7(2)3)8(4)5/h6H,2H2,1,3-5H3/b10-6+
InChIKeyOAVRJOIPMREQKG-UXBLZVDNSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine?
The IUPAC name of N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine (CID 142017453) is N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine.
What is the SMILES notation for N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine?
The canonical SMILES for N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine is C=C(C)C(/N=C/C)=C(C)C.
What is the InChIKey of N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine?
The InChIKey is OAVRJOIPMREQKG-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15N/c1-6-10-9(7(2)3)8(4)5/h6H,2H2,1,3-5H3/b10-6+.
What are the key properties of N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine?
N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpenta-1,3-dien-3-yl)ethanimine is sourced from PubChem (CID 142017453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).