2-methoxybutan-2-amine

C5H13NO — CID 21116415

IUPAC2-methoxybutan-2-amine
SMILESCCC(C)(N)OC
InChIInChI=1S/C5H13NO/c1-4-5(2,6)7-3/h4,6H2,1-3H3
InChIKeyBRMOBUIGDLKPDH-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.72
Rot. Bonds2

About 2-methoxybutan-2-amine

2-methoxybutan-2-amine (PubChem CID 21116415) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 2-methoxybutan-2-amine.

Molecular Properties

Compound Name2-methoxybutan-2-amine
PubChem CID21116415
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name2-methoxybutan-2-amine
SMILESCCC(C)(N)OC
InChIInChI=1S/C5H13NO/c1-4-5(2,6)7-3/h4,6H2,1-3H3
InChIKeyBRMOBUIGDLKPDH-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybutan-2-amine?
The IUPAC name of 2-methoxybutan-2-amine (CID 21116415) is 2-methoxybutan-2-amine.
What is the SMILES notation for 2-methoxybutan-2-amine?
The canonical SMILES for 2-methoxybutan-2-amine is CCC(C)(N)OC.
What is the InChIKey of 2-methoxybutan-2-amine?
The InChIKey is BRMOBUIGDLKPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4-5(2,6)7-3/h4,6H2,1-3H3.
What are the key properties of 2-methoxybutan-2-amine?
2-methoxybutan-2-amine has a molecular weight of 103.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybutan-2-amine is sourced from PubChem (CID 21116415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).