(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine

C11H19N — CID 134566444

IUPAC(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
SMILESC=CN(C)C/C(C)=C(C)/C=C\C
InChIInChI=1S/C11H19N/c1-6-8-10(3)11(4)9-12(5)7-2/h6-8H,2,9H2,1,3-5H3/b8-6-,11-10+
InChIKeyCOSOZVJWYSHEQR-FEVLKHHISA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds4

About (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine

(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine (PubChem CID 134566444) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
PubChem CID134566444
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
SMILESC=CN(C)C/C(C)=C(C)/C=C\C
InChIInChI=1S/C11H19N/c1-6-8-10(3)11(4)9-12(5)7-2/h6-8H,2,9H2,1,3-5H3/b8-6-,11-10+
InChIKeyCOSOZVJWYSHEQR-FEVLKHHISA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(2Z,4E,6Z)-N-(2,2-dimethylpropyl)-N,5-dimethylocta-2,4,6-trien-4-amine
CID 134580456
(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
CID 174245993
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine (CID 134566444) is (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine is C=CN(C)C/C(C)=C(C)/C=C\C.
What is the InChIKey of (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine?
The InChIKey is COSOZVJWYSHEQR-FEVLKHHISA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-10(3)11(4)9-12(5)7-2/h6-8H,2,9H2,1,3-5H3/b8-6-,11-10+.
What are the key properties of (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine?
(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 134566444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).