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

C15H32N2O2 — CID 103846720

IUPACtert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-10-17(13(18)19-15(5,6)7)11-9-16-12-14(2,3)4/h16H,8-12H2,1-7H3
InChIKeyCWFVYXSQDGPCIT-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.27
Rot. Bonds6

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

tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate (PubChem CID 103846720) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
PubChem CID103846720
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-10-17(13(18)19-15(5,6)7)11-9-16-12-14(2,3)4/h16H,8-12H2,1-7H3
InChIKeyCWFVYXSQDGPCIT-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Related Compounds

tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-N-propylcarbamate
CID 107246113
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246246
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
tert-butyl N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-N-propylcarbamate
CID 109377416
tert-butyl N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391805
tert-butyl N-[2-[(3,4-dibromophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate (CID 103846720) is tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate is CCCN(CCNCC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate?
The InChIKey is CWFVYXSQDGPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-10-17(13(18)19-15(5,6)7)11-9-16-12-14(2,3)4/h16H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate has a molecular weight of 272.43 g/mol, XLogP of 3.27, 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-dimethylpropylamino)ethyl]-N-propylcarbamate is sourced from PubChem (CID 103846720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).