methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate

C10H18N2O2 — CID 15725072

IUPACmethyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate
SMILESCCN(C)CC#CCN(C)C(=O)OC
InChIInChI=1S/C10H18N2O2/c1-5-11(2)8-6-7-9-12(3)10(13)14-4/h5,8-9H2,1-4H3
InChIKeyDUNVBYGWOXLJIG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.64
Rot. Bonds3

About methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate

methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate (PubChem CID 15725072) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate
PubChem CID15725072
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate
SMILESCCN(C)CC#CCN(C)C(=O)OC
InChIInChI=1S/C10H18N2O2/c1-5-11(2)8-6-7-9-12(3)10(13)14-4/h5,8-9H2,1-4H3
InChIKeyDUNVBYGWOXLJIG-UHFFFAOYSA-N
XLogP0.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.64
H-Bond Donors ≤ 50
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 methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate (CID 15725072) is methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate is CCN(C)CC#CCN(C)C(=O)OC.
What is the InChIKey of methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate?
The InChIKey is DUNVBYGWOXLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-11(2)8-6-7-9-12(3)10(13)14-4/h5,8-9H2,1-4H3.
What are the key properties of methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate?
methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate has a molecular weight of 198.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate is sourced from PubChem (CID 15725072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).