3-methoxypropan-1-amine

C4H10NO+ — CID 123566454

IUPAC3-methoxypropan-1-amine
SMILES[CH2+]OCCCN
InChIInChI=1S/C4H10NO/c1-6-4-2-3-5/h1-5H2/q+1
InChIKeyNHCNAOWMYDVLPE-UHFFFAOYSA-N
MW88.13 g/mol
LogP0.14
Rot. Bonds3

About 3-methoxypropan-1-amine

3-methoxypropan-1-amine (PubChem CID 123566454) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is 3-methoxypropan-1-amine.

Molecular Properties

Compound Name3-methoxypropan-1-amine
PubChem CID123566454
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name3-methoxypropan-1-amine
SMILES[CH2+]OCCCN
InChIInChI=1S/C4H10NO/c1-6-4-2-3-5/h1-5H2/q+1
InChIKeyNHCNAOWMYDVLPE-UHFFFAOYSA-N
XLogP0.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
iron(3+);propane-1,3-diamine
CID 18953212
CID 21315680
CID 21315680
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-hydroperoxypropan-1-amine
CID 90707028
hydron;propane-1,3-diamine;iodide
CID 175361100
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
ethene;propane-1,3-diamine
CID 158358945
azane;3-methoxypropan-1-amine
CID 172866087
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropan-1-amine?
The IUPAC name of 3-methoxypropan-1-amine (CID 123566454) is 3-methoxypropan-1-amine.
What is the SMILES notation for 3-methoxypropan-1-amine?
The canonical SMILES for 3-methoxypropan-1-amine is [CH2+]OCCCN.
What is the InChIKey of 3-methoxypropan-1-amine?
The InChIKey is NHCNAOWMYDVLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO/c1-6-4-2-3-5/h1-5H2/q+1.
What are the key properties of 3-methoxypropan-1-amine?
3-methoxypropan-1-amine has a molecular weight of 88.13 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropan-1-amine is sourced from PubChem (CID 123566454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).