3-tridecylaziridine-2-carboxamide

C16H32N2O — CID 13310343

IUPAC3-tridecylaziridine-2-carboxamide
SMILESCCCCCCCCCCCCCC1NC1C(N)=O
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(18-14)16(17)19/h14-15,18H,2-13H2,1H3,(H2,17,19)
InChIKeyXCQZZOBGMDLCFD-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.51
Rot. Bonds13

About 3-tridecylaziridine-2-carboxamide

3-tridecylaziridine-2-carboxamide (PubChem CID 13310343) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-tridecylaziridine-2-carboxamide.

Molecular Properties

Compound Name3-tridecylaziridine-2-carboxamide
PubChem CID13310343
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-tridecylaziridine-2-carboxamide
SMILESCCCCCCCCCCCCCC1NC1C(N)=O
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(18-14)16(17)19/h14-15,18H,2-13H2,1H3,(H2,17,19)
InChIKeyXCQZZOBGMDLCFD-UHFFFAOYSA-N
XLogP3.51
TPSA65.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-decyl-4,6-dimethylpiperidine-3-carboxamide
CID 106778721
8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
CID 52939397
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2-(8-methylnon-8-enyl)-3-octylaziridine
CID 169210996
2-decylaziridine-1-carboxamide
CID 175486597

Frequently Asked Questions

What is the IUPAC name of 3-tridecylaziridine-2-carboxamide?
The IUPAC name of 3-tridecylaziridine-2-carboxamide (CID 13310343) is 3-tridecylaziridine-2-carboxamide.
What is the SMILES notation for 3-tridecylaziridine-2-carboxamide?
The canonical SMILES for 3-tridecylaziridine-2-carboxamide is CCCCCCCCCCCCCC1NC1C(N)=O.
What is the InChIKey of 3-tridecylaziridine-2-carboxamide?
The InChIKey is XCQZZOBGMDLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(18-14)16(17)19/h14-15,18H,2-13H2,1H3,(H2,17,19).
What are the key properties of 3-tridecylaziridine-2-carboxamide?
3-tridecylaziridine-2-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.51, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecylaziridine-2-carboxamide is sourced from PubChem (CID 13310343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).