3,6-dimethylhept-2-en-4-imine

C9H17N — CID 123888930

IUPAC3,6-dimethylhept-2-en-4-imine
SMILES[H]/N=C(\CC(C)C)C(C)=CC
InChIInChI=1S/C9H17N/c1-5-8(4)9(10)6-7(2)3/h5,7,10H,6H2,1-4H3/b8-5?,10-9+
InChIKeyLTBODIBJYLOMIA-SSJUCLBWSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds3

About 3,6-dimethylhept-2-en-4-imine

3,6-dimethylhept-2-en-4-imine (PubChem CID 123888930) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,6-dimethylhept-2-en-4-imine.

Molecular Properties

Compound Name3,6-dimethylhept-2-en-4-imine
PubChem CID123888930
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,6-dimethylhept-2-en-4-imine
SMILES[H]/N=C(\CC(C)C)C(C)=CC
InChIInChI=1S/C9H17N/c1-5-8(4)9(10)6-7(2)3/h5,7,10H,6H2,1-4H3/b8-5?,10-9+
InChIKeyLTBODIBJYLOMIA-SSJUCLBWSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
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

3-Methyl-2-cyclopentenimine
CID 91232431
3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
7-Fluoro-2,4-dimethylhept-5-en-3-imine
CID 132194355
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride
CID 146392872
1-Cyclohexyl-imino-2-butene
CID 129765474
Carvone hydrazone
CID 129821701
3,7-Diisopropyl-5-methyl-1,2(4H)-diazepine
CID 557376
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethylidenecyclohexan-1-imine
CID 14026307
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylhept-2-en-4-imine?
The IUPAC name of 3,6-dimethylhept-2-en-4-imine (CID 123888930) is 3,6-dimethylhept-2-en-4-imine.
What is the SMILES notation for 3,6-dimethylhept-2-en-4-imine?
The canonical SMILES for 3,6-dimethylhept-2-en-4-imine is [H]/N=C(\CC(C)C)C(C)=CC.
What is the InChIKey of 3,6-dimethylhept-2-en-4-imine?
The InChIKey is LTBODIBJYLOMIA-SSJUCLBWSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(4)9(10)6-7(2)3/h5,7,10H,6H2,1-4H3/b8-5?,10-9+.
What are the key properties of 3,6-dimethylhept-2-en-4-imine?
3,6-dimethylhept-2-en-4-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylhept-2-en-4-imine is sourced from PubChem (CID 123888930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).