(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine

C10H17N — CID 153465555

IUPAC(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
SMILESCCC(/C=N/C)=C\C=C(C)C
InChIInChI=1S/C10H17N/c1-5-10(8-11-4)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-7+,11-8+
InChIKeyYRZJEVDDAGYJLF-AMMQDNIMSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

About (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine

(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine (PubChem CID 153465555) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
PubChem CID153465555
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
SMILESCCC(/C=N/C)=C\C=C(C)C
InChIInChI=1S/C10H17N/c1-5-10(8-11-4)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-7+,11-8+
InChIKeyYRZJEVDDAGYJLF-AMMQDNIMSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
CID 176975575
tert-butyl acetate;ethane;(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 145026020
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
2,5-dimethylhepta-2,4-diene
CID 54097255
(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
CID 176921489
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine
CID 134288045
N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
CID 146639754
acetic acid;2-methyliminoacetic acid
CID 87702194
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239
(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine
CID 123467800

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine (CID 153465555) is (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine is CCC(/C=N/C)=C\C=C(C)C.
What is the InChIKey of (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine?
The InChIKey is YRZJEVDDAGYJLF-AMMQDNIMSA-N. The full InChI is InChI=1S/C10H17N/c1-5-10(8-11-4)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-7+,11-8+.
What are the key properties of (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine?
(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 153465555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).