5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate

C10H18N2O2 — CID 88525329

IUPAC5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate
SMILESCCN(C)CC#CC(C)OC(=O)NC
InChIInChI=1S/C10H18N2O2/c1-5-12(4)8-6-7-9(2)14-10(13)11-3/h9H,5,8H2,1-4H3,(H,11,13)
InChIKeyAYOVDJODYVOMTJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.69
Rot. Bonds3

About 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate

5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate (PubChem CID 88525329) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate
PubChem CID88525329
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate
SMILESCCN(C)CC#CC(C)OC(=O)NC
InChIInChI=1S/C10H18N2O2/c1-5-12(4)8-6-7-9(2)14-10(13)11-3/h9H,5,8H2,1-4H3,(H,11,13)
InChIKeyAYOVDJODYVOMTJ-UHFFFAOYSA-N
XLogP0.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate?
The IUPAC name of 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate (CID 88525329) is 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate.
What is the SMILES notation for 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate?
The canonical SMILES for 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate is CCN(C)CC#CC(C)OC(=O)NC.
What is the InChIKey of 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate?
The InChIKey is AYOVDJODYVOMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-12(4)8-6-7-9(2)14-10(13)11-3/h9H,5,8H2,1-4H3,(H,11,13).
What are the key properties of 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate?
5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate has a molecular weight of 198.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate is sourced from PubChem (CID 88525329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).