N-butyl-2-methylaziridine-1-carboxamide

C8H16N2O — CID 91621648

IUPACN-butyl-2-methylaziridine-1-carboxamide
SMILESCCCCNC(=O)N1CC1C
InChIInChI=1S/C8H16N2O/c1-3-4-5-9-8(11)10-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyXIVPJZXPPVJPJY-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.20
Rot. Bonds3

About N-butyl-2-methylaziridine-1-carboxamide

N-butyl-2-methylaziridine-1-carboxamide (PubChem CID 91621648) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butyl-2-methylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methylaziridine-1-carboxamide
PubChem CID91621648
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butyl-2-methylaziridine-1-carboxamide
SMILESCCCCNC(=O)N1CC1C
InChIInChI=1S/C8H16N2O/c1-3-4-5-9-8(11)10-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyXIVPJZXPPVJPJY-UHFFFAOYSA-N
XLogP1.20
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.20
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

Dibutylurea
CID 74523
Urea, 1,1-dibutyl-3-ethyl-
CID 3040358
N-butyl-2-cyanoaziridine-1-carboxamide
CID 9834058
2-Cyano-N-ethylaziridine-1-carboxamide
CID 9855493
1-Aziridinecarboxamide, N-isopropyl-
CID 19471
1-Aziridinecarboxamide, N,2-dimethyl-
CID 52159
3-(3-(Dimethylamino)butyl)-1,1-dimethylurea
CID 44570098
1-Butyl-3,3-dimethylurea
CID 142949
1-Aziridinecarboxamide, 2-methyl-N-octadecyl-
CID 93060
N-Butyl-N'-propan-2-ylurea
CID 14984935
1-Aziridinecarboxamide, N-cyclohexyl-
CID 25846
DI-Sec-butylurea
CID 13365

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylaziridine-1-carboxamide?
The IUPAC name of N-butyl-2-methylaziridine-1-carboxamide (CID 91621648) is N-butyl-2-methylaziridine-1-carboxamide.
What is the SMILES notation for N-butyl-2-methylaziridine-1-carboxamide?
The canonical SMILES for N-butyl-2-methylaziridine-1-carboxamide is CCCCNC(=O)N1CC1C.
What is the InChIKey of N-butyl-2-methylaziridine-1-carboxamide?
The InChIKey is XIVPJZXPPVJPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-9-8(11)10-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-butyl-2-methylaziridine-1-carboxamide?
N-butyl-2-methylaziridine-1-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylaziridine-1-carboxamide is sourced from PubChem (CID 91621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).