2-decylaziridine-1-carboxamide

C13H26N2O — CID 175486597

IUPAC2-decylaziridine-1-carboxamide
SMILESCCCCCCCCCCC1CN1C(N)=O
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-12-11-15(12)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyIHENONTVXJKTRK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds9

About 2-decylaziridine-1-carboxamide

2-decylaziridine-1-carboxamide (PubChem CID 175486597) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-decylaziridine-1-carboxamide.

Molecular Properties

Compound Name2-decylaziridine-1-carboxamide
PubChem CID175486597
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-decylaziridine-1-carboxamide
SMILESCCCCCCCCCCC1CN1C(N)=O
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-12-11-15(12)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyIHENONTVXJKTRK-UHFFFAOYSA-N
XLogP3.28
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

ethyl 2-pentylaziridine-1-carboxylate
CID 86053424
1-(2-dodecylaziridin-1-yl)prop-2-en-1-one
CID 175146635
1-methyl-4-nonylazetidin-2-one
CID 70542920
1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide
CID 175161181
2-nonylpiperidine-1-carboxylic acid
CID 69469776
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
4-nonylpiperazine-1-carboxamide
CID 13213299
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
2-butyl-5-oxopyrrolidine-1-carboxamide
CID 69166364
(1-dodecylaziridin-2-yl)methanol
CID 87744504
2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
CID 22387164

Frequently Asked Questions

What is the IUPAC name of 2-decylaziridine-1-carboxamide?
The IUPAC name of 2-decylaziridine-1-carboxamide (CID 175486597) is 2-decylaziridine-1-carboxamide.
What is the SMILES notation for 2-decylaziridine-1-carboxamide?
The canonical SMILES for 2-decylaziridine-1-carboxamide is CCCCCCCCCCC1CN1C(N)=O.
What is the InChIKey of 2-decylaziridine-1-carboxamide?
The InChIKey is IHENONTVXJKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-12-11-15(12)13(14)16/h12H,2-11H2,1H3,(H2,14,16).
What are the key properties of 2-decylaziridine-1-carboxamide?
2-decylaziridine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylaziridine-1-carboxamide is sourced from PubChem (CID 175486597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).