(2Z)-2,3-di(ethylidene)hex-4-en-1-imine

C10H15N — CID 123621757

IUPAC(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C=CC)=CC
InChIInChI=1S/C10H15N/c1-4-7-9(5-2)10(6-3)8-11/h4-8,11H,1-3H3/b7-4?,9-5?,10-6+,11-8+
InChIKeyMXDDNKIYSNMYIW-BTMOJXLISA-N
MW149.24 g/mol
LogP3.10
Rot. Bonds3

About (2Z)-2,3-di(ethylidene)hex-4-en-1-imine

(2Z)-2,3-di(ethylidene)hex-4-en-1-imine (PubChem CID 123621757) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2Z)-2,3-di(ethylidene)hex-4-en-1-imine.

Molecular Properties

Compound Name(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
PubChem CID123621757
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C=CC)=CC
InChIInChI=1S/C10H15N/c1-4-7-9(5-2)10(6-3)8-11/h4-8,11H,1-3H3/b7-4?,9-5?,10-6+,11-8+
InChIKeyMXDDNKIYSNMYIW-BTMOJXLISA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
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

2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
4-methanimidoylhex-4-en-3-one
CID 155692065
4-ethylidenehept-5-en-3-imine
CID 123855505
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222

Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-di(ethylidene)hex-4-en-1-imine?
The IUPAC name of (2Z)-2,3-di(ethylidene)hex-4-en-1-imine (CID 123621757) is (2Z)-2,3-di(ethylidene)hex-4-en-1-imine.
What is the SMILES notation for (2Z)-2,3-di(ethylidene)hex-4-en-1-imine?
The canonical SMILES for (2Z)-2,3-di(ethylidene)hex-4-en-1-imine is [H]/N=C/C(=C\C)C(C=CC)=CC.
What is the InChIKey of (2Z)-2,3-di(ethylidene)hex-4-en-1-imine?
The InChIKey is MXDDNKIYSNMYIW-BTMOJXLISA-N. The full InChI is InChI=1S/C10H15N/c1-4-7-9(5-2)10(6-3)8-11/h4-8,11H,1-3H3/b7-4?,9-5?,10-6+,11-8+.
What are the key properties of (2Z)-2,3-di(ethylidene)hex-4-en-1-imine?
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-di(ethylidene)hex-4-en-1-imine is sourced from PubChem (CID 123621757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).