2-ethyl-N-pentan-3-ylpent-1-en-1-imine

C12H23N — CID 123829792

IUPAC2-ethyl-N-pentan-3-ylpent-1-en-1-imine
SMILESCCCC(=C=NC(CC)CC)CC
InChIInChI=1S/C12H23N/c1-5-9-11(6-2)10-13-12(7-3)8-4/h12H,5-9H2,1-4H3
InChIKeyVGOCZZRJCIBWSG-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.98
Rot. Bonds6

About 2-ethyl-N-pentan-3-ylpent-1-en-1-imine

2-ethyl-N-pentan-3-ylpent-1-en-1-imine (PubChem CID 123829792) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-ethyl-N-pentan-3-ylpent-1-en-1-imine.

Molecular Properties

Compound Name2-ethyl-N-pentan-3-ylpent-1-en-1-imine
PubChem CID123829792
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-ethyl-N-pentan-3-ylpent-1-en-1-imine
SMILESCCCC(=C=NC(CC)CC)CC
InChIInChI=1S/C12H23N/c1-5-9-11(6-2)10-13-12(7-3)8-4/h12H,5-9H2,1-4H3
InChIKeyVGOCZZRJCIBWSG-UHFFFAOYSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.98
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

N-butyl-2-ethylhex-1-en-1-imine
CID 3404535
2-ethyl-N-propan-2-ylbut-1-en-1-imine
CID 12454908
2-methyl-N-propan-2-ylbut-1-en-1-imine
CID 12454906
N-cyclohexyl-2-methylbut-1-en-1-imine
CID 12951386
N-butan-2-yl-2-methylbut-1-en-1-imine
CID 21679719
2,5-dimethyl-3,4-dihydro-2H-pyridine
CID 163937045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pentan-3-ylpent-1-en-1-imine?
The IUPAC name of 2-ethyl-N-pentan-3-ylpent-1-en-1-imine (CID 123829792) is 2-ethyl-N-pentan-3-ylpent-1-en-1-imine.
What is the SMILES notation for 2-ethyl-N-pentan-3-ylpent-1-en-1-imine?
The canonical SMILES for 2-ethyl-N-pentan-3-ylpent-1-en-1-imine is CCCC(=C=NC(CC)CC)CC.
What is the InChIKey of 2-ethyl-N-pentan-3-ylpent-1-en-1-imine?
The InChIKey is VGOCZZRJCIBWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-9-11(6-2)10-13-12(7-3)8-4/h12H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-N-pentan-3-ylpent-1-en-1-imine?
2-ethyl-N-pentan-3-ylpent-1-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pentan-3-ylpent-1-en-1-imine is sourced from PubChem (CID 123829792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).