2-ethyl-N-methylhex-2-en-1-imine

C9H17N — CID 86125258

IUPAC2-ethyl-N-methylhex-2-en-1-imine
SMILESCCCC=C(/C=N/C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h7-8H,4-6H2,1-3H3/b9-7?,10-8+
InChIKeyIFLLEIWQRFPHHN-LSVQJBSPSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds4

About 2-ethyl-N-methylhex-2-en-1-imine

2-ethyl-N-methylhex-2-en-1-imine (PubChem CID 86125258) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-N-methylhex-2-en-1-imine.

Molecular Properties

Compound Name2-ethyl-N-methylhex-2-en-1-imine
PubChem CID86125258
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-N-methylhex-2-en-1-imine
SMILESCCCC=C(/C=N/C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h7-8H,4-6H2,1-3H3/b9-7?,10-8+
InChIKeyIFLLEIWQRFPHHN-LSVQJBSPSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
CID 167149871
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-methylpent-2-en-1-ylidene)cyclopropan-amine
CID 129748290

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylhex-2-en-1-imine?
The IUPAC name of 2-ethyl-N-methylhex-2-en-1-imine (CID 86125258) is 2-ethyl-N-methylhex-2-en-1-imine.
What is the SMILES notation for 2-ethyl-N-methylhex-2-en-1-imine?
The canonical SMILES for 2-ethyl-N-methylhex-2-en-1-imine is CCCC=C(/C=N/C)CC.
What is the InChIKey of 2-ethyl-N-methylhex-2-en-1-imine?
The InChIKey is IFLLEIWQRFPHHN-LSVQJBSPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h7-8H,4-6H2,1-3H3/b9-7?,10-8+.
What are the key properties of 2-ethyl-N-methylhex-2-en-1-imine?
2-ethyl-N-methylhex-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylhex-2-en-1-imine is sourced from PubChem (CID 86125258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).