(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine

C12H19N — CID 123558252

IUPAC(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C(\C)CC)/N=C/C(C)=C\C
InChIInChI=1S/C12H19N/c1-6-10(3)8-12(5)13-9-11(4)7-2/h7-9H,5-6H2,1-4H3/b10-8+,11-7-,13-9+
InChIKeyWMNQBNRJWZPNLG-OLAHBTAZSA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds4

About (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine

(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine (PubChem CID 123558252) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine
PubChem CID123558252
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C(\C)CC)/N=C/C(C)=C\C
InChIInChI=1S/C12H19N/c1-6-10(3)8-12(5)13-9-11(4)7-2/h7-9H,5-6H2,1-4H3/b10-8+,11-7-,13-9+
InChIKeyWMNQBNRJWZPNLG-OLAHBTAZSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
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

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2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
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(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine (CID 123558252) is (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine is C=C(/C=C(\C)CC)/N=C/C(C)=C\C.
What is the InChIKey of (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine?
The InChIKey is WMNQBNRJWZPNLG-OLAHBTAZSA-N. The full InChI is InChI=1S/C12H19N/c1-6-10(3)8-12(5)13-9-11(4)7-2/h7-9H,5-6H2,1-4H3/b10-8+,11-7-,13-9+.
What are the key properties of (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine?
(Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(3E)-4-methylhexa-1,3-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 123558252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).