(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine

C14H29N3 — CID 163245038

IUPAC(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C/C.C/N=C/C=C(/C=C(C)C)NN.CC
InChIInChI=1S/C8H15N3.C4H8.C2H6/c1-7(2)6-8(11-9)4-5-10-3;1-3-4-2;1-2/h4-6,11H,9H2,1-3H3;3-4H,1-2H3;1-2H3/b8-4-,10-5+;4-3+;
InChIKeyFODHVGGAKWPBOC-UIDBVFCISA-N
MW239.41 g/mol
LogP3.61
Rot. Bonds3

About (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine

(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine (PubChem CID 163245038) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
PubChem CID163245038
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C/C.C/N=C/C=C(/C=C(C)C)NN.CC
InChIInChI=1S/C8H15N3.C4H8.C2H6/c1-7(2)6-8(11-9)4-5-10-3;1-3-4-2;1-2/h4-6,11H,9H2,1-3H3;3-4H,1-2H3;1-2H3/b8-4-,10-5+;4-3+;
InChIKeyFODHVGGAKWPBOC-UIDBVFCISA-N
XLogP3.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 163245039
N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
CID 168886817
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(E)-but-2-ene;ethane;2-methylbut-2-ene
CID 144902553
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 59490935
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
but-2-ene;hydrazinecarboxylic acid
CID 174628271
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine (CID 163245038) is (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine is C/C=C/C.C/N=C/C=C(/C=C(C)C)NN.CC.
What is the InChIKey of (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine?
The InChIKey is FODHVGGAKWPBOC-UIDBVFCISA-N. The full InChI is InChI=1S/C8H15N3.C4H8.C2H6/c1-7(2)6-8(11-9)4-5-10-3;1-3-4-2;1-2/h4-6,11H,9H2,1-3H3;3-4H,1-2H3;1-2H3/b8-4-,10-5+;4-3+;.
What are the key properties of (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine?
(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine has a molecular weight of 239.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 163245038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).