1-methoxybutan-1-amine

C5H13NO — CID 19381281

IUPAC1-methoxybutan-1-amine
SMILESCCCC(N)OC
InChIInChI=1S/C5H13NO/c1-3-4-5(6)7-2/h5H,3-4,6H2,1-2H3
InChIKeyZAJYRMCZVGRVKJ-UHFFFAOYSA-N
MW103.17 g/mol
LogP0.72
Rot. Bonds3

About 1-methoxybutan-1-amine

1-methoxybutan-1-amine (PubChem CID 19381281) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 1-methoxybutan-1-amine.

Molecular Properties

Compound Name1-methoxybutan-1-amine
PubChem CID19381281
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name1-methoxybutan-1-amine
SMILESCCCC(N)OC
InChIInChI=1S/C5H13NO/c1-3-4-5(6)7-2/h5H,3-4,6H2,1-2H3
InChIKeyZAJYRMCZVGRVKJ-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
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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Related Compounds

3-Methoxypropylamine
CID 1672
4-Methoxybutan-1-amine
CID 533909
4-Ethoxybutan-1-amine
CID 10441690
1-Methoxypropan-1-amine
CID 14619209
Methoxyethanamine
CID 19353429
Butoxypropanamine
CID 22184064
N-fluoro-1-methoxypropan-1-amine
CID 21657420
1-Aminobutyl hypofluorite
CID 57255886
(3S)-3-fluoro-4-methoxybutan-1-amine
CID 134463015
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
(2R)-2-fluoro-1-methoxypropan-1-amine
CID 173239692
3-Methoxypropylazanium
CID 6992171

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutan-1-amine?
The IUPAC name of 1-methoxybutan-1-amine (CID 19381281) is 1-methoxybutan-1-amine.
What is the SMILES notation for 1-methoxybutan-1-amine?
The canonical SMILES for 1-methoxybutan-1-amine is CCCC(N)OC.
What is the InChIKey of 1-methoxybutan-1-amine?
The InChIKey is ZAJYRMCZVGRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-4-5(6)7-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-methoxybutan-1-amine?
1-methoxybutan-1-amine has a molecular weight of 103.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutan-1-amine is sourced from PubChem (CID 19381281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).