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

C11H21N5O2 — CID 74434133

IUPACtert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H21N5O2/c1-6-7(2)8(9-13-15-16-14-9)12-10(17)18-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,17)(H,13,14,15,16)
InChIKeyKWCIUMKXJCAOLS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.81
Rot. Bonds4

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

tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate (PubChem CID 74434133) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate
PubChem CID74434133
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Nametert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H21N5O2/c1-6-7(2)8(9-13-15-16-14-9)12-10(17)18-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,17)(H,13,14,15,16)
InChIKeyKWCIUMKXJCAOLS-UHFFFAOYSA-N
XLogP1.81
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate (CID 74434133) is tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The InChIKey is KWCIUMKXJCAOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-6-7(2)8(9-13-15-16-14-9)12-10(17)18-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,17)(H,13,14,15,16).
What are the key properties of tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate is sourced from PubChem (CID 74434133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).