N-ethyl-3,6,7-trimethyloct-7-en-4-imine

C13H25N — CID 123411082

IUPACN-ethyl-3,6,7-trimethyloct-7-en-4-imine
SMILESC=C(C)C(C)C/C(=N\CC)C(C)CC
InChIInChI=1S/C13H25N/c1-7-11(5)13(14-8-2)9-12(6)10(3)4/h11-12H,3,7-9H2,1-2,4-6H3/b14-13+
InChIKeyZVPJTWMVFGPRJN-BUHFOSPRSA-N
MW195.35 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-3,6,7-trimethyloct-7-en-4-imine

N-ethyl-3,6,7-trimethyloct-7-en-4-imine (PubChem CID 123411082) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-3,6,7-trimethyloct-7-en-4-imine.

Molecular Properties

Compound NameN-ethyl-3,6,7-trimethyloct-7-en-4-imine
PubChem CID123411082
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-3,6,7-trimethyloct-7-en-4-imine
SMILESC=C(C)C(C)C/C(=N\CC)C(C)CC
InChIInChI=1S/C13H25N/c1-7-11(5)13(14-8-2)9-12(6)10(3)4/h11-12H,3,7-9H2,1-2,4-6H3/b14-13+
InChIKeyZVPJTWMVFGPRJN-BUHFOSPRSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.10
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

2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine
CID 174329003
5-Methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
CID 90906145
3-Hexadecyl-5-methyl-4-methylidene-2,3-dihydropyrrole
CID 91530706
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
CID 59017032
2,4-di(propan-2-yl)-3H-pyrrole
CID 60102688
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine
CID 71135169
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
3-Propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 88981468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6,7-trimethyloct-7-en-4-imine?
The IUPAC name of N-ethyl-3,6,7-trimethyloct-7-en-4-imine (CID 123411082) is N-ethyl-3,6,7-trimethyloct-7-en-4-imine.
What is the SMILES notation for N-ethyl-3,6,7-trimethyloct-7-en-4-imine?
The canonical SMILES for N-ethyl-3,6,7-trimethyloct-7-en-4-imine is C=C(C)C(C)C/C(=N\CC)C(C)CC.
What is the InChIKey of N-ethyl-3,6,7-trimethyloct-7-en-4-imine?
The InChIKey is ZVPJTWMVFGPRJN-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N/c1-7-11(5)13(14-8-2)9-12(6)10(3)4/h11-12H,3,7-9H2,1-2,4-6H3/b14-13+.
What are the key properties of N-ethyl-3,6,7-trimethyloct-7-en-4-imine?
N-ethyl-3,6,7-trimethyloct-7-en-4-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6,7-trimethyloct-7-en-4-imine is sourced from PubChem (CID 123411082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).