(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine

C9H13N — CID 143846998

IUPAC(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C=C)=C/C(=C)C
InChIInChI=1S/C9H13N/c1-5-9(8(4)10)6-7(2)3/h5-6,10H,1-2H2,3-4H3/b9-6+,10-8+
InChIKeyBLOCILQIZVNNCE-OAMUUVBCSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine (PubChem CID 143846998) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
PubChem CID143846998
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C=C)=C/C(=C)C
InChIInChI=1S/C9H13N/c1-5-9(8(4)10)6-7(2)3/h5-6,10H,1-2H2,3-4H3/b9-6+,10-8+
InChIKeyBLOCILQIZVNNCE-OAMUUVBCSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
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

3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
CID 145050208
2-ethenyl-5-imino-4-methylidenehex-2-enoic acid
CID 123678860
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
ethane;[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]-methyldiazene
CID 143256761
N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
5-methylhexa-1,4-dien-3-imine
CID 130197601
(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
CID 144625552
(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide
CID 142200676
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
(5Z)-5,7-dimethylocta-5,7-dien-4-imine
CID 135190093

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine (CID 143846998) is (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine is [H]/N=C(C)/C(C=C)=C/C(=C)C.
What is the InChIKey of (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine?
The InChIKey is BLOCILQIZVNNCE-OAMUUVBCSA-N. The full InChI is InChI=1S/C9H13N/c1-5-9(8(4)10)6-7(2)3/h5-6,10H,1-2H2,3-4H3/b9-6+,10-8+.
What are the key properties of (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine?
(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 143846998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).