(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine

C9H14N2 — CID 123707511

IUPAC(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
SMILES[H]/N=C(C)/C=C\C(=C/C)\C(C)=N\[H]
InChIInChI=1S/C9H14N2/c1-4-9(8(3)11)6-5-7(2)10/h4-6,10-11H,1-3H3/b6-5-,9-4+,10-7+,11-8+
InChIKeyVMFRXCQSGHGKEA-UBGKCJIESA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds3

About (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine

(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine (PubChem CID 123707511) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine.

Molecular Properties

Compound Name(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
PubChem CID123707511
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
SMILES[H]/N=C(C)/C=C\C(=C/C)\C(C)=N\[H]
InChIInChI=1S/C9H14N2/c1-4-9(8(3)11)6-5-7(2)10/h4-6,10-11H,1-3H3/b6-5-,9-4+,10-7+,11-8+
InChIKeyVMFRXCQSGHGKEA-UBGKCJIESA-N
XLogP2.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(Z)-hept-3-ene-2,5-diimine
CID 143456495
3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
CID 145050208
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 130413517
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
CID 146788075
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(Z)-4-iminopent-2-en-3-amine
CID 147180053
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
3-iminobutan-2-one;hydrochloride
CID 91594122

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine?
The IUPAC name of (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine (CID 123707511) is (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine.
What is the SMILES notation for (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine?
The canonical SMILES for (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine is [H]/N=C(C)/C=C\C(=C/C)\C(C)=N\[H].
What is the InChIKey of (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine?
The InChIKey is VMFRXCQSGHGKEA-UBGKCJIESA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(8(3)11)6-5-7(2)10/h4-6,10-11H,1-3H3/b6-5-,9-4+,10-7+,11-8+.
What are the key properties of (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine?
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidenehept-3-ene-2,6-diimine is sourced from PubChem (CID 123707511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).