3-methoxypropylazanium

C4H12NO+ — CID 6992171

IUPAC3-methoxypropylazanium
SMILESCOCCC[NH3+]
InChIInChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3/p+1
InChIKeyFAXDZWQIWUSWJH-UHFFFAOYSA-O
MW90.15 g/mol
LogP-0.74
Rot. Bonds3

About 3-methoxypropylazanium

3-methoxypropylazanium (PubChem CID 6992171) has the molecular formula C4H12NO+ and a molecular weight of 90.15 g/mol. Its IUPAC name is 3-methoxypropylazanium.

Molecular Properties

Compound Name3-methoxypropylazanium
PubChem CID6992171
Molecular FormulaC4H12NO+
Molecular Weight90.15 g/mol
Exact Mass90.09
IUPAC Name3-methoxypropylazanium
SMILESCOCCC[NH3+]
InChIInChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3/p+1
InChIKeyFAXDZWQIWUSWJH-UHFFFAOYSA-O
XLogP-0.74
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropylazanium?
The IUPAC name of 3-methoxypropylazanium (CID 6992171) is 3-methoxypropylazanium.
What is the SMILES notation for 3-methoxypropylazanium?
The canonical SMILES for 3-methoxypropylazanium is COCCC[NH3+].
What is the InChIKey of 3-methoxypropylazanium?
The InChIKey is FAXDZWQIWUSWJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3/p+1.
What are the key properties of 3-methoxypropylazanium?
3-methoxypropylazanium has a molecular weight of 90.15 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropylazanium is sourced from PubChem (CID 6992171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).