N-octadec-1-en-9-ylazetidin-1-amine

C21H42N2 — CID 22447250

IUPACN-octadec-1-en-9-ylazetidin-1-amine
SMILESC=CCCCCCCC(CCCCCCCCC)NN1CCC1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-18-21(22-23-19-16-20-23)17-14-12-10-8-6-4-2/h4,21-22H,2-3,5-20H2,1H3
InChIKeyRSSZYQWDXCOIBF-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.23
Rot. Bonds17

About N-octadec-1-en-9-ylazetidin-1-amine

N-octadec-1-en-9-ylazetidin-1-amine (PubChem CID 22447250) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N-octadec-1-en-9-ylazetidin-1-amine.

Molecular Properties

Compound NameN-octadec-1-en-9-ylazetidin-1-amine
PubChem CID22447250
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN-octadec-1-en-9-ylazetidin-1-amine
SMILESC=CCCCCCCC(CCCCCCCCC)NN1CCC1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-18-21(22-23-19-16-20-23)17-14-12-10-8-6-4-2/h4,21-22H,2-3,5-20H2,1H3
InChIKeyRSSZYQWDXCOIBF-UHFFFAOYSA-N
XLogP6.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylpentadec-1-en-8-amine
CID 107011425
9-bromooctadec-1-ene
CID 167439794
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
cyclopentane;hept-1-ene
CID 159296541
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of N-octadec-1-en-9-ylazetidin-1-amine?
The IUPAC name of N-octadec-1-en-9-ylazetidin-1-amine (CID 22447250) is N-octadec-1-en-9-ylazetidin-1-amine.
What is the SMILES notation for N-octadec-1-en-9-ylazetidin-1-amine?
The canonical SMILES for N-octadec-1-en-9-ylazetidin-1-amine is C=CCCCCCCC(CCCCCCCCC)NN1CCC1.
What is the InChIKey of N-octadec-1-en-9-ylazetidin-1-amine?
The InChIKey is RSSZYQWDXCOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-7-9-11-13-15-18-21(22-23-19-16-20-23)17-14-12-10-8-6-4-2/h4,21-22H,2-3,5-20H2,1H3.
What are the key properties of N-octadec-1-en-9-ylazetidin-1-amine?
N-octadec-1-en-9-ylazetidin-1-amine has a molecular weight of 322.58 g/mol, XLogP of 6.23, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-1-en-9-ylazetidin-1-amine is sourced from PubChem (CID 22447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).