tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate

C15H32N2O2 — CID 107245361

IUPACtert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
SMILESCCCC(C)CNCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-7-9-13(3)12-16-10-11-17(8-2)14(18)19-15(4,5)6/h13,16H,7-12H2,1-6H3
InChIKeySHDRNHQBLJLYAY-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.27
Rot. Bonds8

About tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate (PubChem CID 107245361) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
PubChem CID107245361
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
SMILESCCCC(C)CNCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-7-9-13(3)12-16-10-11-17(8-2)14(18)19-15(4,5)6/h13,16H,7-12H2,1-6H3
InChIKeySHDRNHQBLJLYAY-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate 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-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate (CID 107245361) is tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate is CCCC(C)CNCCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate?
The InChIKey is SHDRNHQBLJLYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-9-13(3)12-16-10-11-17(8-2)14(18)19-15(4,5)6/h13,16H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate is sourced from PubChem (CID 107245361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).