N-octylprop-2-en-1-imine

C11H21N — CID 174329856

IUPACN-octylprop-2-en-1-imine
SMILESC=C/C=N/CCCCCCCC
InChIInChI=1S/C11H21N/c1-3-5-6-7-8-9-11-12-10-4-2/h4,10H,2-3,5-9,11H2,1H3/b12-10+
InChIKeyDRTHDXYHLFKDDZ-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds8

About N-octylprop-2-en-1-imine

N-octylprop-2-en-1-imine (PubChem CID 174329856) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-octylprop-2-en-1-imine.

Molecular Properties

Compound NameN-octylprop-2-en-1-imine
PubChem CID174329856
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-octylprop-2-en-1-imine
SMILESC=C/C=N/CCCCCCCC
InChIInChI=1S/C11H21N/c1-3-5-6-7-8-9-11-12-10-4-2/h4,10H,2-3,5-9,11H2,1H3/b12-10+
InChIKeyDRTHDXYHLFKDDZ-ZRDIBKRKSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
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

(E)-N-octylbut-2-en-1-imine
CID 167240064
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
CID 87397255
lithium;N-hexylethanimine;hydride
CID 174719664
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
decane;pent-1-ene
CID 159058331
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514

Frequently Asked Questions

What is the IUPAC name of N-octylprop-2-en-1-imine?
The IUPAC name of N-octylprop-2-en-1-imine (CID 174329856) is N-octylprop-2-en-1-imine.
What is the SMILES notation for N-octylprop-2-en-1-imine?
The canonical SMILES for N-octylprop-2-en-1-imine is C=C/C=N/CCCCCCCC.
What is the InChIKey of N-octylprop-2-en-1-imine?
The InChIKey is DRTHDXYHLFKDDZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-6-7-8-9-11-12-10-4-2/h4,10H,2-3,5-9,11H2,1H3/b12-10+.
What are the key properties of N-octylprop-2-en-1-imine?
N-octylprop-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylprop-2-en-1-imine is sourced from PubChem (CID 174329856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).