N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine

C₉H₁₉NO — CID 130392651

About N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine

N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine (PubChem CID 130392651) has the molecular formula C₉H₁₉NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine.

Molecular Properties

• Compound Name: N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
• PubChem CID: 130392651
• Molecular Formula: C₉H₁₉NO
• Molecular Weight: 157.26 g/mol
• Exact Mass: 157.15
• IUPAC Name: N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
• SMILES: CCC(C)(CC1CO1)N(C)C
• InChI: InChI=1S/C9H19NO/c1-5-9(2,10(3)4)6-8-7-11-8/h8H,5-7H2,1-4H3
• InChIKey: WDZGJFLSLVCYEV-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 15.77 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.26
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?

The IUPAC name of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine (CID 130392651) is N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine.

What is the SMILES notation for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?

The canonical SMILES for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine is CCC(C)(CC1CO1)N(C)C.

What is the InChIKey of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?

The InChIKey is WDZGJFLSLVCYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(2,10(3)4)6-8-7-11-8/h8H,5-7H2,1-4H3.

What are the key properties of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?

N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine is sourced from PubChem (CID 130392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130392651 — identifiers, structure, computed properties (public domain)

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