N-pentyloct-1-en-1-imine

C13H25N — CID 163733808

IUPACN-pentyloct-1-en-1-imine
SMILESCCCCCCC=C=NCCCCC
InChIInChI=1S/C13H25N/c1-3-5-7-8-9-11-13-14-12-10-6-4-2/h11H,3-10,12H2,1-2H3
InChIKeyLBWYEHHFPSKPSA-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.37
Rot. Bonds9

About N-pentyloct-1-en-1-imine

N-pentyloct-1-en-1-imine (PubChem CID 163733808) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-pentyloct-1-en-1-imine.

Molecular Properties

Compound NameN-pentyloct-1-en-1-imine
PubChem CID163733808
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-pentyloct-1-en-1-imine
SMILESCCCCCCC=C=NCCCCC
InChIInChI=1S/C13H25N/c1-3-5-7-8-9-11-13-14-12-10-6-4-2/h11H,3-10,12H2,1-2H3
InChIKeyLBWYEHHFPSKPSA-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.37
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-butyl-2-ethylhex-1-en-1-imine
CID 3404535
1-Azacyclotetradeca-13,14-diene
CID 87926473
N-butylhex-1-en-1-imine
CID 88132918
N-hexylbut-1-en-1-imine
CID 88133285
N-ethenyloct-1-en-1-imine
CID 123451352
N-cyclotridecylpent-1-en-1-imine
CID 123463527
N-butylhexa-1,2-dien-1-imine
CID 123621591
8-ethylimino-N,N-dimethyloct-7-en-1-amine
CID 126710228
N-cyclohexylhepta-1,2-dien-1-imine
CID 140968843
N-dodecyltetradec-1-en-1-imine
CID 142108603
2-Butyl-1-azacycloundeca-10,11-diene
CID 164159256
8-Ethyliminooct-7-en-1-amine
CID 171524424

Frequently Asked Questions

What is the IUPAC name of N-pentyloct-1-en-1-imine?
The IUPAC name of N-pentyloct-1-en-1-imine (CID 163733808) is N-pentyloct-1-en-1-imine.
What is the SMILES notation for N-pentyloct-1-en-1-imine?
The canonical SMILES for N-pentyloct-1-en-1-imine is CCCCCCC=C=NCCCCC.
What is the InChIKey of N-pentyloct-1-en-1-imine?
The InChIKey is LBWYEHHFPSKPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-7-8-9-11-13-14-12-10-6-4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of N-pentyloct-1-en-1-imine?
N-pentyloct-1-en-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyloct-1-en-1-imine is sourced from PubChem (CID 163733808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).