2-propylaziridine

C5H11N — CID 544792

IUPAC2-propylaziridine
SMILESCCCC1CN1
InChIInChI=1S/C5H11N/c1-2-3-5-4-6-5/h5-6H,2-4H2,1H3
InChIKeyHEUSUILDTYLSGB-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.76
Rot. Bonds2

About 2-propylaziridine

2-propylaziridine (PubChem CID 544792) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 2-propylaziridine.

Molecular Properties

Compound Name2-propylaziridine
PubChem CID544792
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name2-propylaziridine
SMILESCCCC1CN1
InChIInChI=1S/C5H11N/c1-2-3-5-4-6-5/h5-6H,2-4H2,1H3
InChIKeyHEUSUILDTYLSGB-UHFFFAOYSA-N
XLogP0.76
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pentylaziridine
CID 19101061
6,6-dimethyl-2-propyl-1,4-diazepane
CID 67417881
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
(2R)-2,5-dipropylpyrrolidine
CID 143543976
2-(3-ethylpentyl)aziridine
CID 54037862
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
2-[(4-propyloxetan-2-yl)methyl]aziridine
CID 163538018
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-hexyl-5-methylpiperazine
CID 153393891
(6-propylpiperidin-3-yl)methanol
CID 105430782
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of 2-propylaziridine?
The IUPAC name of 2-propylaziridine (CID 544792) is 2-propylaziridine.
What is the SMILES notation for 2-propylaziridine?
The canonical SMILES for 2-propylaziridine is CCCC1CN1.
What is the InChIKey of 2-propylaziridine?
The InChIKey is HEUSUILDTYLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-2-3-5-4-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-propylaziridine?
2-propylaziridine has a molecular weight of 85.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylaziridine is sourced from PubChem (CID 544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).