N-methoxypropan-1-amine

C4H11NO — CID 11815284

IUPACN-methoxypropan-1-amine
SMILESCCCNOC
InChIInChI=1S/C4H11NO/c1-3-4-5-6-2/h5H,3-4H2,1-2H3
InChIKeyIUVIGVRSTLVOQI-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.55
Rot. Bonds3

About N-methoxypropan-1-amine

N-methoxypropan-1-amine (PubChem CID 11815284) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is N-methoxypropan-1-amine.

Molecular Properties

Compound NameN-methoxypropan-1-amine
PubChem CID11815284
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC NameN-methoxypropan-1-amine
SMILESCCCNOC
InChIInChI=1S/C4H11NO/c1-3-4-5-6-2/h5H,3-4H2,1-2H3
InChIKeyIUVIGVRSTLVOQI-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxypropan-1-amine?
The IUPAC name of N-methoxypropan-1-amine (CID 11815284) is N-methoxypropan-1-amine.
What is the SMILES notation for N-methoxypropan-1-amine?
The canonical SMILES for N-methoxypropan-1-amine is CCCNOC.
What is the InChIKey of N-methoxypropan-1-amine?
The InChIKey is IUVIGVRSTLVOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4-5-6-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methoxypropan-1-amine?
N-methoxypropan-1-amine has a molecular weight of 89.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypropan-1-amine is sourced from PubChem (CID 11815284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).