1-octadecan-4-ylaziridine

C20H41N — CID 87223215

IUPAC1-octadecan-4-ylaziridine
SMILESCCCCCCCCCCCCCCC(CCC)N1CC1
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(16-4-2)21-18-19-21/h20H,3-19H2,1-2H3
InChIKeyXRONREMBWOUVES-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.56
Rot. Bonds16

About 1-octadecan-4-ylaziridine

1-octadecan-4-ylaziridine (PubChem CID 87223215) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 1-octadecan-4-ylaziridine.

Molecular Properties

Compound Name1-octadecan-4-ylaziridine
PubChem CID87223215
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name1-octadecan-4-ylaziridine
SMILESCCCCCCCCCCCCCCC(CCC)N1CC1
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(16-4-2)21-18-19-21/h20H,3-19H2,1-2H3
InChIKeyXRONREMBWOUVES-UHFFFAOYSA-N
XLogP6.56
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-decan-4-ylpiperidine
CID 142178259
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-[(4R)-octan-4-yl]azetidine
CID 170061956
4-hexadecan-8-ylmorpholine
CID 126489366
1-octan-4-ylazonane
CID 123427772
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-methylsulfonyl-4-pentadecan-8-ylpiperazine
CID 139365186
methane;1-octan-4-ylpiperidine
CID 143122058

Frequently Asked Questions

What is the IUPAC name of 1-octadecan-4-ylaziridine?
The IUPAC name of 1-octadecan-4-ylaziridine (CID 87223215) is 1-octadecan-4-ylaziridine.
What is the SMILES notation for 1-octadecan-4-ylaziridine?
The canonical SMILES for 1-octadecan-4-ylaziridine is CCCCCCCCCCCCCCC(CCC)N1CC1.
What is the InChIKey of 1-octadecan-4-ylaziridine?
The InChIKey is XRONREMBWOUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(16-4-2)21-18-19-21/h20H,3-19H2,1-2H3.
What are the key properties of 1-octadecan-4-ylaziridine?
1-octadecan-4-ylaziridine has a molecular weight of 295.56 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecan-4-ylaziridine is sourced from PubChem (CID 87223215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).