1-pentyl-2,2,3-tris(prop-2-enyl)aziridine

C16H27N — CID 87336510

IUPAC1-pentyl-2,2,3-tris(prop-2-enyl)aziridine
SMILESC=CCC1N(CCCCC)C1(CC=C)CC=C
InChIInChI=1S/C16H27N/c1-5-9-10-14-17-15(11-6-2)16(17,12-7-3)13-8-4/h6-8,15H,2-5,9-14H2,1H3
InChIKeySLTQQSKOSSQICG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.33
Rot. Bonds10

About 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine

1-pentyl-2,2,3-tris(prop-2-enyl)aziridine (PubChem CID 87336510) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine.

Molecular Properties

Compound Name1-pentyl-2,2,3-tris(prop-2-enyl)aziridine
PubChem CID87336510
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-pentyl-2,2,3-tris(prop-2-enyl)aziridine
SMILESC=CCC1N(CCCCC)C1(CC=C)CC=C
InChIInChI=1S/C16H27N/c1-5-9-10-14-17-15(11-6-2)16(17,12-7-3)13-8-4/h6-8,15H,2-5,9-14H2,1H3
InChIKeySLTQQSKOSSQICG-UHFFFAOYSA-N
XLogP4.33
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine?
The IUPAC name of 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine (CID 87336510) is 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine.
What is the SMILES notation for 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine?
The canonical SMILES for 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine is C=CCC1N(CCCCC)C1(CC=C)CC=C.
What is the InChIKey of 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine?
The InChIKey is SLTQQSKOSSQICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-9-10-14-17-15(11-6-2)16(17,12-7-3)13-8-4/h6-8,15H,2-5,9-14H2,1H3.
What are the key properties of 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine?
1-pentyl-2,2,3-tris(prop-2-enyl)aziridine has a molecular weight of 233.40 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2,2,3-tris(prop-2-enyl)aziridine is sourced from PubChem (CID 87336510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).