tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate

C17H34N2O2 — CID 107246107

IUPACtert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC1CCCC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-7-12-19(15(20)21-16(2,3)4)13-11-18-14-9-8-10-17(14,5)6/h14,18H,7-13H2,1-6H3
InChIKeyOXEGHJMFBFFEEX-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate (PubChem CID 107246107) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
PubChem CID107246107
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC1CCCC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-7-12-19(15(20)21-16(2,3)4)13-11-18-14-9-8-10-17(14,5)6/h14,18H,7-13H2,1-6H3
InChIKeyOXEGHJMFBFFEEX-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate 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-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256920
tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
CID 165468562
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244393
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate (CID 107246107) is tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate is CCCN(CCNC1CCCC1(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate?
The InChIKey is OXEGHJMFBFFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-12-19(15(20)21-16(2,3)4)13-11-18-14-9-8-10-17(14,5)6/h14,18H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 107246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).