(3-methoxypropylamino)methanol

C5H13NO2 — CID 89050571

IUPAC(3-methoxypropylamino)methanol
SMILESCOCCCNCO
InChIInChI=1S/C5H13NO2/c1-8-4-2-3-6-5-7/h6-7H,2-5H2,1H3
InChIKeyKTRMAZPGVMPZLQ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.44
Rot. Bonds5

About (3-methoxypropylamino)methanol

(3-methoxypropylamino)methanol (PubChem CID 89050571) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (3-methoxypropylamino)methanol.

Molecular Properties

Compound Name(3-methoxypropylamino)methanol
PubChem CID89050571
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(3-methoxypropylamino)methanol
SMILESCOCCCNCO
InChIInChI=1S/C5H13NO2/c1-8-4-2-3-6-5-7/h6-7H,2-5H2,1H3
InChIKeyKTRMAZPGVMPZLQ-UHFFFAOYSA-N
XLogP-0.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypropylamino)methanol?
The IUPAC name of (3-methoxypropylamino)methanol (CID 89050571) is (3-methoxypropylamino)methanol.
What is the SMILES notation for (3-methoxypropylamino)methanol?
The canonical SMILES for (3-methoxypropylamino)methanol is COCCCNCO.
What is the InChIKey of (3-methoxypropylamino)methanol?
The InChIKey is KTRMAZPGVMPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-8-4-2-3-6-5-7/h6-7H,2-5H2,1H3.
What are the key properties of (3-methoxypropylamino)methanol?
(3-methoxypropylamino)methanol has a molecular weight of 119.16 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypropylamino)methanol is sourced from PubChem (CID 89050571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).