(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine

C11H15N — CID 123685417

IUPAC(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine
SMILESC=C/C(C)=C/C=C\N=C\C=C/C
InChIInChI=1S/C11H15N/c1-4-6-9-12-10-7-8-11(3)5-2/h4-10H,2H2,1,3H3/b6-4-,10-7-,11-8+,12-9+
InChIKeyFEZUFUHUUBFDOY-BLQSAGPNSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine

(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine (PubChem CID 123685417) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine
PubChem CID123685417
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine
SMILESC=C/C(C)=C/C=C\N=C\C=C/C
InChIInChI=1S/C11H15N/c1-4-6-9-12-10-7-8-11(3)5-2/h4-10H,2H2,1,3H3/b6-4-,10-7-,11-8+,12-9+
InChIKeyFEZUFUHUUBFDOY-BLQSAGPNSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
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

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
Benzazocine
CID 19879720
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Ethylidene 3h pyrrol
CID 129814507
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 155133424
Aza[14]annulene
CID 12588520
4-Methyl-2-pyridyllithium
CID 16182949
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
1,7-Diazacyclododeca-1,3,5,7,9,11-hexaene
CID 91264072
4-methyl-2H-pyridin-2-ide
CID 125458985

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine (CID 123685417) is (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine is C=C/C(C)=C/C=C\N=C\C=C/C.
What is the InChIKey of (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine?
The InChIKey is FEZUFUHUUBFDOY-BLQSAGPNSA-N. The full InChI is InChI=1S/C11H15N/c1-4-6-9-12-10-7-8-11(3)5-2/h4-10H,2H2,1,3H3/b6-4-,10-7-,11-8+,12-9+.
What are the key properties of (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine?
(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine is sourced from PubChem (CID 123685417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).