(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine

C12H23N — CID 123539646

IUPAC(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
SMILESC/C=C(CC)\C(=N\C)C(C)CCC
InChIInChI=1S/C12H23N/c1-6-9-10(4)12(13-5)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+
InChIKeySYCDNLFNTMBWBT-JFJOJTIFSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds5

About (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine

(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine (PubChem CID 123539646) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine.

Molecular Properties

Compound Name(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
PubChem CID123539646
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
SMILESC/C=C(CC)\C(=N\C)C(C)CCC
InChIInChI=1S/C12H23N/c1-6-9-10(4)12(13-5)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+
InChIKeySYCDNLFNTMBWBT-JFJOJTIFSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine?
The IUPAC name of (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine (CID 123539646) is (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine.
What is the SMILES notation for (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine?
The canonical SMILES for (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine is C/C=C(CC)\C(=N\C)C(C)CCC.
What is the InChIKey of (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine?
The InChIKey is SYCDNLFNTMBWBT-JFJOJTIFSA-N. The full InChI is InChI=1S/C12H23N/c1-6-9-10(4)12(13-5)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+.
What are the key properties of (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine?
(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine is sourced from PubChem (CID 123539646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).