(1S)-1-methoxypropan-1-amine

C4H11NO — CID 14619210

IUPAC(1S)-1-methoxypropan-1-amine
SMILESCC[C@@H](N)OC
InChIInChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyKNYKHCLCBHSFCK-BYPYZUCNSA-N
MW89.14 g/mol
LogP0.33
Rot. Bonds2

About (1S)-1-methoxypropan-1-amine

(1S)-1-methoxypropan-1-amine (PubChem CID 14619210) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is (1S)-1-methoxypropan-1-amine.

Molecular Properties

Compound Name(1S)-1-methoxypropan-1-amine
PubChem CID14619210
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name(1S)-1-methoxypropan-1-amine
SMILESCC[C@@H](N)OC
InChIInChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyKNYKHCLCBHSFCK-BYPYZUCNSA-N
XLogP0.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.33
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
Propanolamine ethyl ether
CID 22720
2-Propoxyethylamine
CID 111878
4-Methoxybutan-1-amine
CID 533909
3-Propoxypropylamine
CID 85579
3-Methoxy-2-methylpropan-1-amine
CID 22052176
1-Methoxypropan-1-amine
CID 14619209
Ethanamine, 1-ethoxy-
CID 11228797
Gammabeta-aminoethyl ether
CID 17857504
Methoxyethanamine
CID 19353429
Butoxypropanamine
CID 22184064
Ethylaminomethoxy-propane
CID 117860560

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxypropan-1-amine?
The IUPAC name of (1S)-1-methoxypropan-1-amine (CID 14619210) is (1S)-1-methoxypropan-1-amine.
What is the SMILES notation for (1S)-1-methoxypropan-1-amine?
The canonical SMILES for (1S)-1-methoxypropan-1-amine is CC[C@@H](N)OC.
What is the InChIKey of (1S)-1-methoxypropan-1-amine?
The InChIKey is KNYKHCLCBHSFCK-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-methoxypropan-1-amine?
(1S)-1-methoxypropan-1-amine has a molecular weight of 89.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxypropan-1-amine is sourced from PubChem (CID 14619210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).