2-(diethylamino)ethyl N-butylcarbamate;hydrochloride

C11H25ClN2O2 — CID 24836164

IUPAC2-(diethylamino)ethyl N-butylcarbamate;hydrochloride
SMILESCCCCNC(=O)OCCN(CC)CC.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3;/h4-10H2,1-3H3,(H,12,14);1H
InChIKeyWLOJAQRHAIMYGU-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.28
Rot. Bonds8

About 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride

2-(diethylamino)ethyl N-butylcarbamate;hydrochloride (PubChem CID 24836164) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-butylcarbamate;hydrochloride
PubChem CID24836164
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name2-(diethylamino)ethyl N-butylcarbamate;hydrochloride
SMILESCCCCNC(=O)OCCN(CC)CC.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3;/h4-10H2,1-3H3,(H,12,14);1H
InChIKeyWLOJAQRHAIMYGU-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride (CID 24836164) is 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride is CCCCNC(=O)OCCN(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride?
The InChIKey is WLOJAQRHAIMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-4-7-8-12-11(14)15-10-9-13(5-2)6-3;/h4-10H2,1-3H3,(H,12,14);1H.
What are the key properties of 2-(diethylamino)ethyl N-butylcarbamate;hydrochloride?
2-(diethylamino)ethyl N-butylcarbamate;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 2.28, 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;hydrochloride is sourced from PubChem (CID 24836164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).