3-(2-methyloxiran-2-yl)propan-1-amine

C6H13NO — CID 159741158

IUPAC3-(2-methyloxiran-2-yl)propan-1-amine
SMILESCC1(CCCN)CO1
InChIInChI=1S/C6H13NO/c1-6(5-8-6)3-2-4-7/h2-5,7H2,1H3
InChIKeyNCLXWYKMQCZMOV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds3

About 3-(2-methyloxiran-2-yl)propan-1-amine

3-(2-methyloxiran-2-yl)propan-1-amine (PubChem CID 159741158) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(2-methyloxiran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxiran-2-yl)propan-1-amine
PubChem CID159741158
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(2-methyloxiran-2-yl)propan-1-amine
SMILESCC1(CCCN)CO1
InChIInChI=1S/C6H13NO/c1-6(5-8-6)3-2-4-7/h2-5,7H2,1H3
InChIKeyNCLXWYKMQCZMOV-UHFFFAOYSA-N
XLogP0.51
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
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-(2-methyloxiran-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methyloxiran-2-yl)propan-1-amine (CID 159741158) is 3-(2-methyloxiran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyloxiran-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyloxiran-2-yl)propan-1-amine is CC1(CCCN)CO1.
What is the InChIKey of 3-(2-methyloxiran-2-yl)propan-1-amine?
The InChIKey is NCLXWYKMQCZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8-6)3-2-4-7/h2-5,7H2,1H3.
What are the key properties of 3-(2-methyloxiran-2-yl)propan-1-amine?
3-(2-methyloxiran-2-yl)propan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxiran-2-yl)propan-1-amine is sourced from PubChem (CID 159741158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).