N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene

C12H19N — CID 163263223

IUPACN-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
SMILESC=C.C=C=C(C)C(/N=C/C)=C(C)C
InChIInChI=1S/C10H15N.C2H4/c1-6-9(5)10(8(3)4)11-7-2;1-2/h7H,1H2,2-5H3;1-2H2/b11-7+;
InChIKeyDZWKCEJYRGEHLB-RVDQCCQOSA-N
MW177.29 g/mol
LogP3.90
Rot. Bonds2

About N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene

N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene (PubChem CID 163263223) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene.

Molecular Properties

Compound NameN-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
PubChem CID163263223
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
SMILESC=C.C=C=C(C)C(/N=C/C)=C(C)C
InChIInChI=1S/C10H15N.C2H4/c1-6-9(5)10(8(3)4)11-7-2;1-2/h7H,1H2,2-5H3;1-2H2/b11-7+;
InChIKeyDZWKCEJYRGEHLB-RVDQCCQOSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.90
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methylhexa-2,4,5-trien-3-amine
CID 176543493
(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
CID 143366519
N-ethylideneacetamide
CID 21338179
ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
CID 143884394
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
CID 89096718
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
N-ethylidene-N'-methylethanimidamide
CID 58796711
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol
CID 143559789

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene?
The IUPAC name of N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene (CID 163263223) is N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene.
What is the SMILES notation for N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene?
The canonical SMILES for N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene is C=C.C=C=C(C)C(/N=C/C)=C(C)C.
What is the InChIKey of N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene?
The InChIKey is DZWKCEJYRGEHLB-RVDQCCQOSA-N. The full InChI is InChI=1S/C10H15N.C2H4/c1-6-9(5)10(8(3)4)11-7-2;1-2/h7H,1H2,2-5H3;1-2H2/b11-7+;.
What are the key properties of N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene?
N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene has a molecular weight of 177.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene is sourced from PubChem (CID 163263223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).