1-(methylamino)-3-prop-2-enoxypropan-2-ol

C7H15NO2 — CID 3152610

IUPAC1-(methylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC
InChIInChI=1S/C7H15NO2/c1-3-4-10-6-7(9)5-8-2/h3,7-9H,1,4-6H2,2H3
InChIKeyGVUKYWNSUGHMHQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.23
Rot. Bonds6

About 1-(methylamino)-3-prop-2-enoxypropan-2-ol

1-(methylamino)-3-prop-2-enoxypropan-2-ol (PubChem CID 3152610) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(methylamino)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-prop-2-enoxypropan-2-ol
PubChem CID3152610
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(methylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC
InChIInChI=1S/C7H15NO2/c1-3-4-10-6-7(9)5-8-2/h3,7-9H,1,4-6H2,2H3
InChIKeyGVUKYWNSUGHMHQ-UHFFFAOYSA-N
XLogP-0.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-(methylamino)-3-prop-2-enoxypropan-2-ol (CID 3152610) is 1-(methylamino)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CNC.
What is the InChIKey of 1-(methylamino)-3-prop-2-enoxypropan-2-ol?
The InChIKey is GVUKYWNSUGHMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-10-6-7(9)5-8-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 1-(methylamino)-3-prop-2-enoxypropan-2-ol?
1-(methylamino)-3-prop-2-enoxypropan-2-ol has a molecular weight of 145.20 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 3152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).