1-butylaziridine

C6H13N — CID 14267

IUPAC1-butylaziridine
SMILESCCCCN1CC1
InChIInChI=1S/C6H13N/c1-2-3-4-7-5-6-7/h2-6H2,1H3
InChIKeyXIEJPTDTTYFCJM-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds3

About 1-butylaziridine

1-butylaziridine (PubChem CID 14267) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-butylaziridine.

Molecular Properties

Compound Name1-butylaziridine
PubChem CID14267
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-butylaziridine
SMILESCCCCN1CC1
InChIInChI=1S/C6H13N/c1-2-3-4-7-5-6-7/h2-6H2,1H3
InChIKeyXIEJPTDTTYFCJM-UHFFFAOYSA-N
XLogP1.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylethyleneimine
CID 150876
1-Propylaziridine
CID 184321
aziridine, N,2-diethyl-
CID 22623468
aziridine, N-ethyl-cis-2,3-dimethyl-
CID 129654348
aziridine, N-ethyl-trans-2,3-dimethyl-
CID 171383942
Meth-ylene diethylamine
CID 20705517
(2R,3R)-1,2,3-trimethylaziridine
CID 22212559
1-Isobutylaziridine
CID 22661587
(2S,3R)-1,2,3-trimethylaziridine
CID 101669610
1,1-Diethylaziridinium
CID 167765
1-(1-Fluoropropyl)aziridine
CID 20387221
1-(4-Fluorobutyl)aziridine
CID 140125951

Frequently Asked Questions

What is the IUPAC name of 1-butylaziridine?
The IUPAC name of 1-butylaziridine (CID 14267) is 1-butylaziridine.
What is the SMILES notation for 1-butylaziridine?
The canonical SMILES for 1-butylaziridine is CCCCN1CC1.
What is the InChIKey of 1-butylaziridine?
The InChIKey is XIEJPTDTTYFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-2-3-4-7-5-6-7/h2-6H2,1H3.
What are the key properties of 1-butylaziridine?
1-butylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylaziridine is sourced from PubChem (CID 14267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).