N-methoxybutan-2-amine

C5H13NO — CID 12770713

IUPACN-methoxybutan-2-amine
SMILESCCC(C)NOC
InChIInChI=1S/C5H13NO/c1-4-5(2)6-7-3/h5-6H,4H2,1-3H3
InChIKeyFYKOQMOIMIXVKW-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.94
Rot. Bonds3

About N-methoxybutan-2-amine

N-methoxybutan-2-amine (PubChem CID 12770713) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-methoxybutan-2-amine.

Molecular Properties

Compound NameN-methoxybutan-2-amine
PubChem CID12770713
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-methoxybutan-2-amine
SMILESCCC(C)NOC
InChIInChI=1S/C5H13NO/c1-4-5(2)6-7-3/h5-6H,4H2,1-3H3
InChIKeyFYKOQMOIMIXVKW-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxybutan-2-amine?
The IUPAC name of N-methoxybutan-2-amine (CID 12770713) is N-methoxybutan-2-amine.
What is the SMILES notation for N-methoxybutan-2-amine?
The canonical SMILES for N-methoxybutan-2-amine is CCC(C)NOC.
What is the InChIKey of N-methoxybutan-2-amine?
The InChIKey is FYKOQMOIMIXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4-5(2)6-7-3/h5-6H,4H2,1-3H3.
What are the key properties of N-methoxybutan-2-amine?
N-methoxybutan-2-amine has a molecular weight of 103.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxybutan-2-amine is sourced from PubChem (CID 12770713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).