2-[methyl(propyl)amino]prop-2-enyl acetate

C9H17NO2 — CID 163468141

IUPAC2-[methyl(propyl)amino]prop-2-enyl acetate
SMILESC=C(COC(C)=O)N(C)CCC
InChIInChI=1S/C9H17NO2/c1-5-6-10(4)8(2)7-12-9(3)11/h2,5-7H2,1,3-4H3
InChIKeyBUILATWPQSOBHB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.40
Rot. Bonds5

About 2-[methyl(propyl)amino]prop-2-enyl acetate

2-[methyl(propyl)amino]prop-2-enyl acetate (PubChem CID 163468141) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]prop-2-enyl acetate.

Molecular Properties

Compound Name2-[methyl(propyl)amino]prop-2-enyl acetate
PubChem CID163468141
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[methyl(propyl)amino]prop-2-enyl acetate
SMILESC=C(COC(C)=O)N(C)CCC
InChIInChI=1S/C9H17NO2/c1-5-6-10(4)8(2)7-12-9(3)11/h2,5-7H2,1,3-4H3
InChIKeyBUILATWPQSOBHB-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(propyl)amino]prop-2-enyl acetate 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;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
[4-(acetyloxymethyl)-2-methylidene-3-oxopent-4-enyl] acetate
CID 54165995
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
2-oxopropyl acetate;bis(vanadium)
CID 175077929
methanol;2-oxopropyl acetate
CID 174729097
pentyl N-methyl-N-propylcarbamate
CID 58662040
2-[2-(dipropylamino)-2-oxoethoxy]-N-methyl-N-propylacetamide
CID 153278734
bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)
CID 160735556
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
(3-hydroxy-2-methylidenenonyl) acetate
CID 101045153

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]prop-2-enyl acetate?
The IUPAC name of 2-[methyl(propyl)amino]prop-2-enyl acetate (CID 163468141) is 2-[methyl(propyl)amino]prop-2-enyl acetate.
What is the SMILES notation for 2-[methyl(propyl)amino]prop-2-enyl acetate?
The canonical SMILES for 2-[methyl(propyl)amino]prop-2-enyl acetate is C=C(COC(C)=O)N(C)CCC.
What is the InChIKey of 2-[methyl(propyl)amino]prop-2-enyl acetate?
The InChIKey is BUILATWPQSOBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-10(4)8(2)7-12-9(3)11/h2,5-7H2,1,3-4H3.
What are the key properties of 2-[methyl(propyl)amino]prop-2-enyl acetate?
2-[methyl(propyl)amino]prop-2-enyl acetate has a molecular weight of 171.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]prop-2-enyl acetate is sourced from PubChem (CID 163468141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).