3,6-dimethylhepta-3,6-dien-2-imine

C9H15N — CID 91523155

IUPAC3,6-dimethylhepta-3,6-dien-2-imine
SMILES[H]/N=C(\C)C(C)=CCC(=C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h6,10H,1,5H2,2-4H3/b8-6?,10-9+
InChIKeyDPALKDKGHFICOC-NMGVWRBOSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds3

About 3,6-dimethylhepta-3,6-dien-2-imine

3,6-dimethylhepta-3,6-dien-2-imine (PubChem CID 91523155) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,6-dimethylhepta-3,6-dien-2-imine.

Molecular Properties

Compound Name3,6-dimethylhepta-3,6-dien-2-imine
PubChem CID91523155
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,6-dimethylhepta-3,6-dien-2-imine
SMILES[H]/N=C(\C)C(C)=CCC(=C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h6,10H,1,5H2,2-4H3/b8-6?,10-9+
InChIKeyDPALKDKGHFICOC-NMGVWRBOSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Methyl-2-cyclopentenimine
CID 91232431
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(E)-5-fluorohex-4-en-3-imine
CID 91325186
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
2-Fluoro-5-methylhexa-1,4-dien-3-imine
CID 123879479
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylhepta-3,6-dien-2-imine?
The IUPAC name of 3,6-dimethylhepta-3,6-dien-2-imine (CID 91523155) is 3,6-dimethylhepta-3,6-dien-2-imine.
What is the SMILES notation for 3,6-dimethylhepta-3,6-dien-2-imine?
The canonical SMILES for 3,6-dimethylhepta-3,6-dien-2-imine is [H]/N=C(\C)C(C)=CCC(=C)C.
What is the InChIKey of 3,6-dimethylhepta-3,6-dien-2-imine?
The InChIKey is DPALKDKGHFICOC-NMGVWRBOSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h6,10H,1,5H2,2-4H3/b8-6?,10-9+.
What are the key properties of 3,6-dimethylhepta-3,6-dien-2-imine?
3,6-dimethylhepta-3,6-dien-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylhepta-3,6-dien-2-imine is sourced from PubChem (CID 91523155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).