5-methylhexa-1,4-dien-3-imine

C7H11N — CID 130197601

IUPAC5-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C=C(C)C
InChIInChI=1S/C7H11N/c1-4-7(8)5-6(2)3/h4-5,8H,1H2,2-3H3/b8-7+
InChIKeyKVHHFMDMULZLNH-BQYQJAHWSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds2

About 5-methylhexa-1,4-dien-3-imine

5-methylhexa-1,4-dien-3-imine (PubChem CID 130197601) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-methylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name5-methylhexa-1,4-dien-3-imine
PubChem CID130197601
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C=C(C)C
InChIInChI=1S/C7H11N/c1-4-7(8)5-6(2)3/h4-5,8H,1H2,2-3H3/b8-7+
InChIKeyKVHHFMDMULZLNH-BQYQJAHWSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
2-imino-4-methylpent-3-enoic acid
CID 143316665
3,4-dimethylpenta-1,3-diene
CID 6713443
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
ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
CID 126639572
CID 58318985
CID 58318985
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 144635572

Frequently Asked Questions

What is the IUPAC name of 5-methylhexa-1,4-dien-3-imine?
The IUPAC name of 5-methylhexa-1,4-dien-3-imine (CID 130197601) is 5-methylhexa-1,4-dien-3-imine.
What is the SMILES notation for 5-methylhexa-1,4-dien-3-imine?
The canonical SMILES for 5-methylhexa-1,4-dien-3-imine is [H]/N=C(\C=C)C=C(C)C.
What is the InChIKey of 5-methylhexa-1,4-dien-3-imine?
The InChIKey is KVHHFMDMULZLNH-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(8)5-6(2)3/h4-5,8H,1H2,2-3H3/b8-7+.
What are the key properties of 5-methylhexa-1,4-dien-3-imine?
5-methylhexa-1,4-dien-3-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexa-1,4-dien-3-imine is sourced from PubChem (CID 130197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).