5-ethyl-N,2-dimethyltridec-2-en-1-imine

C17H33N — CID 91514795

IUPAC5-ethyl-N,2-dimethyltridec-2-en-1-imine
SMILESCCCCCCCCC(CC)CC=C(C)/C=N/C
InChIInChI=1S/C17H33N/c1-5-7-8-9-10-11-12-17(6-2)14-13-16(3)15-18-4/h13,15,17H,5-12,14H2,1-4H3/b16-13?,18-15+
InChIKeyZDYGQTRUHYRINY-IVUDFJMXSA-N
MW251.46 g/mol
LogP5.80
Rot. Bonds11

About 5-ethyl-N,2-dimethyltridec-2-en-1-imine

5-ethyl-N,2-dimethyltridec-2-en-1-imine (PubChem CID 91514795) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyltridec-2-en-1-imine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyltridec-2-en-1-imine
PubChem CID91514795
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name5-ethyl-N,2-dimethyltridec-2-en-1-imine
SMILESCCCCCCCCC(CC)CC=C(C)/C=N/C
InChIInChI=1S/C17H33N/c1-5-7-8-9-10-11-12-17(6-2)14-13-16(3)15-18-4/h13,15,17H,5-12,14H2,1-4H3/b16-13?,18-15+
InChIKeyZDYGQTRUHYRINY-IVUDFJMXSA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-N-methyl-2-(2-methylpropyl)pent-2-en-1-imine
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CID 90769610
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CID 90995811
2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine
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N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
3-(5-Methylhexyl)pyrrol-1-ium
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(E)-3,11-dimethyltetradec-2-en-1-imine
CID 118358413

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyltridec-2-en-1-imine?
The IUPAC name of 5-ethyl-N,2-dimethyltridec-2-en-1-imine (CID 91514795) is 5-ethyl-N,2-dimethyltridec-2-en-1-imine.
What is the SMILES notation for 5-ethyl-N,2-dimethyltridec-2-en-1-imine?
The canonical SMILES for 5-ethyl-N,2-dimethyltridec-2-en-1-imine is CCCCCCCCC(CC)CC=C(C)/C=N/C.
What is the InChIKey of 5-ethyl-N,2-dimethyltridec-2-en-1-imine?
The InChIKey is ZDYGQTRUHYRINY-IVUDFJMXSA-N. The full InChI is InChI=1S/C17H33N/c1-5-7-8-9-10-11-12-17(6-2)14-13-16(3)15-18-4/h13,15,17H,5-12,14H2,1-4H3/b16-13?,18-15+.
What are the key properties of 5-ethyl-N,2-dimethyltridec-2-en-1-imine?
5-ethyl-N,2-dimethyltridec-2-en-1-imine has a molecular weight of 251.46 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyltridec-2-en-1-imine is sourced from PubChem (CID 91514795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).