(E)-N,4-dimethylhept-3-en-2-imine

C9H17N — CID 144751661

IUPAC(E)-N,4-dimethylhept-3-en-2-imine
SMILESCCC/C(C)=C/C(C)=N/C
InChIInChI=1S/C9H17N/c1-5-6-8(2)7-9(3)10-4/h7H,5-6H2,1-4H3/b8-7+,10-9+
InChIKeyOAZBNWSBVHJLCL-XBLVEGMJSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About (E)-N,4-dimethylhept-3-en-2-imine

(E)-N,4-dimethylhept-3-en-2-imine (PubChem CID 144751661) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N,4-dimethylhept-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,4-dimethylhept-3-en-2-imine
PubChem CID144751661
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N,4-dimethylhept-3-en-2-imine
SMILESCCC/C(C)=C/C(C)=N/C
InChIInChI=1S/C9H17N/c1-5-6-8(2)7-9(3)10-4/h7H,5-6H2,1-4H3/b8-7+,10-9+
InChIKeyOAZBNWSBVHJLCL-XBLVEGMJSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
N,4-dimethylpent-3-en-2-imine
CID 20725565

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-dimethylhept-3-en-2-imine?
The IUPAC name of (E)-N,4-dimethylhept-3-en-2-imine (CID 144751661) is (E)-N,4-dimethylhept-3-en-2-imine.
What is the SMILES notation for (E)-N,4-dimethylhept-3-en-2-imine?
The canonical SMILES for (E)-N,4-dimethylhept-3-en-2-imine is CCC/C(C)=C/C(C)=N/C.
What is the InChIKey of (E)-N,4-dimethylhept-3-en-2-imine?
The InChIKey is OAZBNWSBVHJLCL-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-8(2)7-9(3)10-4/h7H,5-6H2,1-4H3/b8-7+,10-9+.
What are the key properties of (E)-N,4-dimethylhept-3-en-2-imine?
(E)-N,4-dimethylhept-3-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-dimethylhept-3-en-2-imine is sourced from PubChem (CID 144751661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).