N-butylaziridine-1-carboxamide

C7H14N2O — CID 55206947

IUPACN-butylaziridine-1-carboxamide
SMILESCCCCNC(=O)N1CC1
InChIInChI=1S/C7H14N2O/c1-2-3-4-8-7(10)9-5-6-9/h2-6H2,1H3,(H,8,10)
InChIKeyXXVSJJZOOBFIKI-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds3

About N-butylaziridine-1-carboxamide

N-butylaziridine-1-carboxamide (PubChem CID 55206947) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-butylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-butylaziridine-1-carboxamide
PubChem CID55206947
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-butylaziridine-1-carboxamide
SMILESCCCCNC(=O)N1CC1
InChIInChI=1S/C7H14N2O/c1-2-3-4-8-7(10)9-5-6-9/h2-6H2,1H3,(H,8,10)
InChIKeyXXVSJJZOOBFIKI-UHFFFAOYSA-N
XLogP0.81
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.81
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

N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-butyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404101
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754

Frequently Asked Questions

What is the IUPAC name of N-butylaziridine-1-carboxamide?
The IUPAC name of N-butylaziridine-1-carboxamide (CID 55206947) is N-butylaziridine-1-carboxamide.
What is the SMILES notation for N-butylaziridine-1-carboxamide?
The canonical SMILES for N-butylaziridine-1-carboxamide is CCCCNC(=O)N1CC1.
What is the InChIKey of N-butylaziridine-1-carboxamide?
The InChIKey is XXVSJJZOOBFIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-8-7(10)9-5-6-9/h2-6H2,1H3,(H,8,10).
What are the key properties of N-butylaziridine-1-carboxamide?
N-butylaziridine-1-carboxamide has a molecular weight of 142.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylaziridine-1-carboxamide is sourced from PubChem (CID 55206947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).