3-ethenyl-5-methylhepta-3,5-dien-2-imine

C10H15N — CID 90864895

IUPAC3-ethenyl-5-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(\C)C(C=C)=CC(C)=CC
InChIInChI=1S/C10H15N/c1-5-8(3)7-10(6-2)9(4)11/h5-7,11H,2H2,1,3-4H3/b8-5?,10-7?,11-9+
InChIKeyGBSGOZIAZVQQKM-CXIQQOHMSA-N
MW149.24 g/mol
LogP3.10
Rot. Bonds3

About 3-ethenyl-5-methylhepta-3,5-dien-2-imine

3-ethenyl-5-methylhepta-3,5-dien-2-imine (PubChem CID 90864895) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-ethenyl-5-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name3-ethenyl-5-methylhepta-3,5-dien-2-imine
PubChem CID90864895
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-ethenyl-5-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(\C)C(C=C)=CC(C)=CC
InChIInChI=1S/C10H15N/c1-5-8(3)7-10(6-2)9(4)11/h5-7,11H,2H2,1,3-4H3/b8-5?,10-7?,11-9+
InChIKeyGBSGOZIAZVQQKM-CXIQQOHMSA-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

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
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,4Z)-2-ethenyl-N,N,4-trimethylhexa-2,4-dienamide
CID 143013710
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
5-methylhexa-1,4-dien-3-imine
CID 130197601
(Z)-4-iminopent-2-en-3-amine
CID 147180053
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 143818483
(3E,5Z)-3-ethenyl-5-methyl-2-piperidin-4-ylidenehepta-3,5-dienenitrile
CID 166108302
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methylhepta-3,5-dien-2-imine?
The IUPAC name of 3-ethenyl-5-methylhepta-3,5-dien-2-imine (CID 90864895) is 3-ethenyl-5-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for 3-ethenyl-5-methylhepta-3,5-dien-2-imine?
The canonical SMILES for 3-ethenyl-5-methylhepta-3,5-dien-2-imine is [H]/N=C(\C)C(C=C)=CC(C)=CC.
What is the InChIKey of 3-ethenyl-5-methylhepta-3,5-dien-2-imine?
The InChIKey is GBSGOZIAZVQQKM-CXIQQOHMSA-N. The full InChI is InChI=1S/C10H15N/c1-5-8(3)7-10(6-2)9(4)11/h5-7,11H,2H2,1,3-4H3/b8-5?,10-7?,11-9+.
What are the key properties of 3-ethenyl-5-methylhepta-3,5-dien-2-imine?
3-ethenyl-5-methylhepta-3,5-dien-2-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 3-ethenyl-5-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 90864895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).