2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane

C13H21N — CID 143104199

IUPAC2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane
SMILESC=CC=C=C(/C=C\CC)/C=N/C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-6-8-11(10-12-3)9-7-5-2;1-2/h4,6-7,9-10H,1,5H2,2-3H3;1-2H3/b9-7-,12-10+;
InChIKeyUZYGZFZMMYYHQJ-MSMPZYMUSA-N
MW191.32 g/mol
LogP3.95
Rot. Bonds4

About 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane

2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane (PubChem CID 143104199) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane
PubChem CID143104199
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane
SMILESC=CC=C=C(/C=C\CC)/C=N/C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-6-8-11(10-12-3)9-7-5-2;1-2/h4,6-7,9-10H,1,5H2,2-3H3;1-2H3/b9-7-,12-10+;
InChIKeyUZYGZFZMMYYHQJ-MSMPZYMUSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.95
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

(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
CID 142143345
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
CID 153398370
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid;ethane
CID 142315454
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
benzene;ethane;(3Z)-hexa-1,3-diene
CID 145406592
(Z)-N,2-dimethylhept-4-en-3-imine;ethane
CID 156795544
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid
CID 142315455

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane?
The IUPAC name of 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane (CID 143104199) is 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane?
The canonical SMILES for 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane is C=CC=C=C(/C=C\CC)/C=N/C.CC.
What is the InChIKey of 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane?
The InChIKey is UZYGZFZMMYYHQJ-MSMPZYMUSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-6-8-11(10-12-3)9-7-5-2;1-2/h4,6-7,9-10H,1,5H2,2-3H3;1-2H3/b9-7-,12-10+;.
What are the key properties of 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane?
2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane has a molecular weight of 191.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane is sourced from PubChem (CID 143104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).