2-(diethylamino)ethyl N-butylcarbamate

C11H24N2O2 — CID 24836165

IUPAC2-(diethylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCN(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3/h4-10H2,1-3H3,(H,12,14)
InChIKeyDEFXPHIKVGZCAH-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds8

About 2-(diethylamino)ethyl N-butylcarbamate

2-(diethylamino)ethyl N-butylcarbamate (PubChem CID 24836165) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-butylcarbamate
PubChem CID24836165
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(diethylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCN(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3/h4-10H2,1-3H3,(H,12,14)
InChIKeyDEFXPHIKVGZCAH-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propamocarb
CID 32490
Propamocarb hydrochloride
CID 15575641
Butyl-carbamic acid 2-(3-methyl-ureido)-ethyl ester
CID 650127
Carbamic acid, butyl-, butyl ester
CID 10374900
Filex
CID 33112
Carbamic acid, butyl-, ((2-aminoethyl)imino)di-2,1-ethanediyl ester, dihydrochloride
CID 3088657
1-[(Methoxycarbonyl)amino]propan-2-YL N-butylcarbamate
CID 4183002
Diethyl butane-1,4-diylbiscarbamate
CID 235140
2-(Diethylamino)ethyl dibutylcarbamate--hydrogen chloride (1/1)
CID 16233
(Methylazanediyl)di(ethane-2,1-diyl) bis(hydrogen propylcarbonimidate)--hydrogen chloride (1/1)
CID 33909
(Methylazanediyl)di(ethane-2,1-diyl) bis(hydrogen butylcarbonimidate)--hydrogen chloride (1/1)
CID 33911
Choline, chloride, ethylcarbamate
CID 115898

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-butylcarbamate?
The IUPAC name of 2-(diethylamino)ethyl N-butylcarbamate (CID 24836165) is 2-(diethylamino)ethyl N-butylcarbamate.
What is the SMILES notation for 2-(diethylamino)ethyl N-butylcarbamate?
The canonical SMILES for 2-(diethylamino)ethyl N-butylcarbamate is CCCCNC(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl N-butylcarbamate?
The InChIKey is DEFXPHIKVGZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3/h4-10H2,1-3H3,(H,12,14).
What are the key properties of 2-(diethylamino)ethyl N-butylcarbamate?
2-(diethylamino)ethyl N-butylcarbamate has a molecular weight of 216.32 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-butylcarbamate is sourced from PubChem (CID 24836165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).