(E)-N-octylbut-2-en-1-imine

C12H23N — CID 167240064

IUPAC(E)-N-octylbut-2-en-1-imine
SMILESC/C=C/C=N/CCCCCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-8-9-10-12-13-11-6-4-2/h4,6,11H,3,5,7-10,12H2,1-2H3/b6-4+,13-11+
InChIKeyHBVRANXWSKQRAK-OACCZNHXSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds8

About (E)-N-octylbut-2-en-1-imine

(E)-N-octylbut-2-en-1-imine (PubChem CID 167240064) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-N-octylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-octylbut-2-en-1-imine
PubChem CID167240064
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-N-octylbut-2-en-1-imine
SMILESC/C=C/C=N/CCCCCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-8-9-10-12-13-11-6-4-2/h4,6,11H,3,5,7-10,12H2,1-2H3/b6-4+,13-11+
InChIKeyHBVRANXWSKQRAK-OACCZNHXSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
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

N-octylprop-2-en-1-imine
CID 174329856
lithium;N-hexylethanimine;hydride
CID 174719664
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145
N-decyl-2-[diethyl(prop-1-enyl)silyl]ethanimine
CID 123304085
N-(but-2-enylideneamino)octanamide
CID 5180348
2-tetradecyliminoacetic acid
CID 88692071
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995

Frequently Asked Questions

What is the IUPAC name of (E)-N-octylbut-2-en-1-imine?
The IUPAC name of (E)-N-octylbut-2-en-1-imine (CID 167240064) is (E)-N-octylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-octylbut-2-en-1-imine?
The canonical SMILES for (E)-N-octylbut-2-en-1-imine is C/C=C/C=N/CCCCCCCC.
What is the InChIKey of (E)-N-octylbut-2-en-1-imine?
The InChIKey is HBVRANXWSKQRAK-OACCZNHXSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-7-8-9-10-12-13-11-6-4-2/h4,6,11H,3,5,7-10,12H2,1-2H3/b6-4+,13-11+.
What are the key properties of (E)-N-octylbut-2-en-1-imine?
(E)-N-octylbut-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-octylbut-2-en-1-imine is sourced from PubChem (CID 167240064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).