3-ethyl-N-(2-methylpropyl)oxiran-2-amine

C8H17NO — CID 91127776

IUPAC3-ethyl-N-(2-methylpropyl)oxiran-2-amine
SMILESCCC1OC1NCC(C)C
InChIInChI=1S/C8H17NO/c1-4-7-8(10-7)9-5-6(2)3/h6-9H,4-5H2,1-3H3
InChIKeyAUJNBPWYAHAYDK-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds4

About 3-ethyl-N-(2-methylpropyl)oxiran-2-amine

3-ethyl-N-(2-methylpropyl)oxiran-2-amine (PubChem CID 91127776) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylpropyl)oxiran-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methylpropyl)oxiran-2-amine
PubChem CID91127776
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-ethyl-N-(2-methylpropyl)oxiran-2-amine
SMILESCCC1OC1NCC(C)C
InChIInChI=1S/C8H17NO/c1-4-7-8(10-7)9-5-6(2)3/h6-9H,4-5H2,1-3H3
InChIKeyAUJNBPWYAHAYDK-UHFFFAOYSA-N
XLogP1.37
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-ethyl-N-(2-methylpropyl)oxiran-2-amine?
The IUPAC name of 3-ethyl-N-(2-methylpropyl)oxiran-2-amine (CID 91127776) is 3-ethyl-N-(2-methylpropyl)oxiran-2-amine.
What is the SMILES notation for 3-ethyl-N-(2-methylpropyl)oxiran-2-amine?
The canonical SMILES for 3-ethyl-N-(2-methylpropyl)oxiran-2-amine is CCC1OC1NCC(C)C.
What is the InChIKey of 3-ethyl-N-(2-methylpropyl)oxiran-2-amine?
The InChIKey is AUJNBPWYAHAYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-8(10-7)9-5-6(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N-(2-methylpropyl)oxiran-2-amine?
3-ethyl-N-(2-methylpropyl)oxiran-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylpropyl)oxiran-2-amine is sourced from PubChem (CID 91127776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).