2-butan-2-yl-N-methyloxiran-2-amine

C7H15NO — CID 163941208

IUPAC2-butan-2-yl-N-methyloxiran-2-amine
SMILESCCC(C)C1(NC)CO1
InChIInChI=1S/C7H15NO/c1-4-6(2)7(8-3)5-9-7/h6,8H,4-5H2,1-3H3
InChIKeyRRCVOERELHZSHD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.98
Rot. Bonds3

About 2-butan-2-yl-N-methyloxiran-2-amine

2-butan-2-yl-N-methyloxiran-2-amine (PubChem CID 163941208) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-butan-2-yl-N-methyloxiran-2-amine.

Molecular Properties

Compound Name2-butan-2-yl-N-methyloxiran-2-amine
PubChem CID163941208
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-butan-2-yl-N-methyloxiran-2-amine
SMILESCCC(C)C1(NC)CO1
InChIInChI=1S/C7H15NO/c1-4-6(2)7(8-3)5-9-7/h6,8H,4-5H2,1-3H3
InChIKeyRRCVOERELHZSHD-UHFFFAOYSA-N
XLogP0.98
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.98
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 2-butan-2-yl-N-methyloxiran-2-amine?
The IUPAC name of 2-butan-2-yl-N-methyloxiran-2-amine (CID 163941208) is 2-butan-2-yl-N-methyloxiran-2-amine.
What is the SMILES notation for 2-butan-2-yl-N-methyloxiran-2-amine?
The canonical SMILES for 2-butan-2-yl-N-methyloxiran-2-amine is CCC(C)C1(NC)CO1.
What is the InChIKey of 2-butan-2-yl-N-methyloxiran-2-amine?
The InChIKey is RRCVOERELHZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(2)7(8-3)5-9-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yl-N-methyloxiran-2-amine?
2-butan-2-yl-N-methyloxiran-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-methyloxiran-2-amine is sourced from PubChem (CID 163941208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).