tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate

C14H28N6O2 — CID 107445532

IUPACtert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C14H28N6O2/c1-10(11-16-18-19-17-11)15-8-9-20(13(2,3)4)12(21)22-14(5,6)7/h10,15H,8-9H2,1-7H3,(H,16,17,18,19)
InChIKeyARECSWSXJHXHIC-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate (PubChem CID 107445532) has the molecular formula C14H28N6O2 and a molecular weight of 312.42 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
PubChem CID107445532
Molecular FormulaC14H28N6O2
Molecular Weight312.42 g/mol
Exact Mass312.23
IUPAC Nametert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C14H28N6O2/c1-10(11-16-18-19-17-11)15-8-9-20(13(2,3)4)12(21)22-14(5,6)7/h10,15H,8-9H2,1-7H3,(H,16,17,18,19)
InChIKeyARECSWSXJHXHIC-UHFFFAOYSA-N
XLogP1.89
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
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CID 107444710
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
CID 107444832
tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate (CID 107445532) is tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate?
The InChIKey is ARECSWSXJHXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O2/c1-10(11-16-18-19-17-11)15-8-9-20(13(2,3)4)12(21)22-14(5,6)7/h10,15H,8-9H2,1-7H3,(H,16,17,18,19).
What are the key properties of tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate has a molecular weight of 312.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 107445532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).