2-pentylaziridine

C7H15N — CID 19101061

IUPAC2-pentylaziridine
SMILESCCCCCC1CN1
InChIInChI=1S/C7H15N/c1-2-3-4-5-7-6-8-7/h7-8H,2-6H2,1H3
InChIKeyOQPVYUGOKGJCGN-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.54
Rot. Bonds4

About 2-pentylaziridine

2-pentylaziridine (PubChem CID 19101061) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-pentylaziridine.

Molecular Properties

Compound Name2-pentylaziridine
PubChem CID19101061
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-pentylaziridine
SMILESCCCCCC1CN1
InChIInChI=1S/C7H15N/c1-2-3-4-5-7-6-8-7/h7-8H,2-6H2,1H3
InChIKeyOQPVYUGOKGJCGN-UHFFFAOYSA-N
XLogP1.54
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.54
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

2-hexyl-5-methylpiperazine
CID 153393891
2-octadecylpiperazine
CID 155671137
2-propylaziridine
CID 544792
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperidine
CID 106778394
6-pentylpiperidine-3,4-diol
CID 122657014
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2R)-2-butylpiperazine
CID 11182666
dichloromanganese;(1R,4S,7R,10S,15R)-4,7,10-tripentyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
CID 59891298

Frequently Asked Questions

What is the IUPAC name of 2-pentylaziridine?
The IUPAC name of 2-pentylaziridine (CID 19101061) is 2-pentylaziridine.
What is the SMILES notation for 2-pentylaziridine?
The canonical SMILES for 2-pentylaziridine is CCCCCC1CN1.
What is the InChIKey of 2-pentylaziridine?
The InChIKey is OQPVYUGOKGJCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-4-5-7-6-8-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-pentylaziridine?
2-pentylaziridine has a molecular weight of 113.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylaziridine is sourced from PubChem (CID 19101061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).