3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine

C8H18N2 — CID 88894361

IUPAC3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine
SMILESCC1(C)NC1(C)CCCN
InChIInChI=1S/C8H18N2/c1-7(2)8(3,10-7)5-4-6-9/h10H,4-6,9H2,1-3H3
InChIKeyZJRXPTTXOZRURV-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds3

About 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine

3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine (PubChem CID 88894361) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine
PubChem CID88894361
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine
SMILESCC1(C)NC1(C)CCCN
InChIInChI=1S/C8H18N2/c1-7(2)8(3,10-7)5-4-6-9/h10H,4-6,9H2,1-3H3
InChIKeyZJRXPTTXOZRURV-UHFFFAOYSA-N
XLogP0.87
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine?
The IUPAC name of 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine (CID 88894361) is 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine is CC1(C)NC1(C)CCCN.
What is the InChIKey of 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine?
The InChIKey is ZJRXPTTXOZRURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)8(3,10-7)5-4-6-9/h10H,4-6,9H2,1-3H3.
What are the key properties of 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine?
3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3-trimethylaziridin-2-yl)propan-1-amine is sourced from PubChem (CID 88894361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).