(5E)-N,2-dimethylhepta-2,5-dien-1-imine

C9H15N — CID 143108380

IUPAC(5E)-N,2-dimethylhepta-2,5-dien-1-imine
SMILESC/C=C/CC=C(C)/C=N/C
InChIInChI=1S/C9H15N/c1-4-5-6-7-9(2)8-10-3/h4-5,7-8H,6H2,1-3H3/b5-4+,9-7?,10-8+
InChIKeyOVXIHRQLDLRXKO-SKQZCDPSSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About (5E)-N,2-dimethylhepta-2,5-dien-1-imine

(5E)-N,2-dimethylhepta-2,5-dien-1-imine (PubChem CID 143108380) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5E)-N,2-dimethylhepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(5E)-N,2-dimethylhepta-2,5-dien-1-imine
PubChem CID143108380
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5E)-N,2-dimethylhepta-2,5-dien-1-imine
SMILESC/C=C/CC=C(C)/C=N/C
InChIInChI=1S/C9H15N/c1-4-5-6-7-9(2)8-10-3/h4-5,7-8H,6H2,1-3H3/b5-4+,9-7?,10-8+
InChIKeyOVXIHRQLDLRXKO-SKQZCDPSSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
CID 123399564
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E)-N-methyl-2-(trifluoromethyl)pent-2-en-1-imine
CID 174333816

Frequently Asked Questions

What is the IUPAC name of (5E)-N,2-dimethylhepta-2,5-dien-1-imine?
The IUPAC name of (5E)-N,2-dimethylhepta-2,5-dien-1-imine (CID 143108380) is (5E)-N,2-dimethylhepta-2,5-dien-1-imine.
What is the SMILES notation for (5E)-N,2-dimethylhepta-2,5-dien-1-imine?
The canonical SMILES for (5E)-N,2-dimethylhepta-2,5-dien-1-imine is C/C=C/CC=C(C)/C=N/C.
What is the InChIKey of (5E)-N,2-dimethylhepta-2,5-dien-1-imine?
The InChIKey is OVXIHRQLDLRXKO-SKQZCDPSSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-6-7-9(2)8-10-3/h4-5,7-8H,6H2,1-3H3/b5-4+,9-7?,10-8+.
What are the key properties of (5E)-N,2-dimethylhepta-2,5-dien-1-imine?
(5E)-N,2-dimethylhepta-2,5-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,2-dimethylhepta-2,5-dien-1-imine is sourced from PubChem (CID 143108380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).