tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate

C14H30N2O2 — CID 102998322

IUPACtert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
SMILESCCN(CC)CCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-15(8-2)11-10-12-16(9-3)13(17)18-14(4,5)6/h7-12H2,1-6H3
InChIKeySJJGTHJHOLWXCI-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.98
Rot. Bonds7

About tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate

tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate (PubChem CID 102998322) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
PubChem CID102998322
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
SMILESCCN(CC)CCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-15(8-2)11-10-12-16(9-3)13(17)18-14(4,5)6/h7-12H2,1-6H3
InChIKeySJJGTHJHOLWXCI-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate 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

tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl 4-(diethylamino)butanoate
CID 122660980
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate (CID 102998322) is tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate is CCN(CC)CCCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate?
The InChIKey is SJJGTHJHOLWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-15(8-2)11-10-12-16(9-3)13(17)18-14(4,5)6/h7-12H2,1-6H3.
What are the key properties of tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate?
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate has a molecular weight of 258.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate is sourced from PubChem (CID 102998322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).