2,3,3-trimethoxypropan-1-amine

C6H15NO3 — CID 23120503

IUPAC2,3,3-trimethoxypropan-1-amine
SMILESCOC(CN)C(OC)OC
InChIInChI=1S/C6H15NO3/c1-8-5(4-7)6(9-2)10-3/h5-6H,4,7H2,1-3H3
InChIKeyKBURGWUJBARVIE-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.42
Rot. Bonds5

About 2,3,3-trimethoxypropan-1-amine

2,3,3-trimethoxypropan-1-amine (PubChem CID 23120503) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,3-trimethoxypropan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethoxypropan-1-amine
PubChem CID23120503
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2,3,3-trimethoxypropan-1-amine
SMILESCOC(CN)C(OC)OC
InChIInChI=1S/C6H15NO3/c1-8-5(4-7)6(9-2)10-3/h5-6H,4,7H2,1-3H3
InChIKeyKBURGWUJBARVIE-UHFFFAOYSA-N
XLogP-0.42
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethoxypropan-1-amine?
The IUPAC name of 2,3,3-trimethoxypropan-1-amine (CID 23120503) is 2,3,3-trimethoxypropan-1-amine.
What is the SMILES notation for 2,3,3-trimethoxypropan-1-amine?
The canonical SMILES for 2,3,3-trimethoxypropan-1-amine is COC(CN)C(OC)OC.
What is the InChIKey of 2,3,3-trimethoxypropan-1-amine?
The InChIKey is KBURGWUJBARVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-8-5(4-7)6(9-2)10-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 2,3,3-trimethoxypropan-1-amine?
2,3,3-trimethoxypropan-1-amine has a molecular weight of 149.19 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethoxypropan-1-amine is sourced from PubChem (CID 23120503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).