ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine

C12H25N — CID 143793219

IUPACethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C/C)CN.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-3-5-6-8(4-2)7-9;2*1-2/h3-6H,2,7,9H2,1H3;2*1-2H3/b5-3-,8-6+;;
InChIKeyGDGGYHJVRBKMAY-SENBWYCCSA-N
MW183.34 g/mol
LogP3.69
Rot. Bonds3

About ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine

ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine (PubChem CID 143793219) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
PubChem CID143793219
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C/C)CN.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-3-5-6-8(4-2)7-9;2*1-2/h3-6H,2,7,9H2,1H3;2*1-2H3/b5-3-,8-6+;;
InChIKeyGDGGYHJVRBKMAY-SENBWYCCSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
CID 89129521
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine?
The IUPAC name of ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine (CID 143793219) is ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine?
The canonical SMILES for ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine is C=C/C(=C\C=C/C)CN.CC.CC.
What is the InChIKey of ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine?
The InChIKey is GDGGYHJVRBKMAY-SENBWYCCSA-N. The full InChI is InChI=1S/C8H13N.2C2H6/c1-3-5-6-8(4-2)7-9;2*1-2/h3-6H,2,7,9H2,1H3;2*1-2H3/b5-3-,8-6+;;.
What are the key properties of ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine?
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine is sourced from PubChem (CID 143793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).