tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate

C12H23N5O2 — CID 129050666

IUPACtert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
SMILESCC(C)(C)CC(NC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C12H23N5O2/c1-11(2,3)7-8(9-14-16-17-15-9)13-10(18)19-12(4,5)6/h8H,7H2,1-6H3,(H,13,18)(H,14,15,16,17)
InChIKeyQEZHTDOQEKVOBF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate

tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate (PubChem CID 129050666) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
PubChem CID129050666
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Nametert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
SMILESCC(C)(C)CC(NC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C12H23N5O2/c1-11(2,3)7-8(9-14-16-17-15-9)13-10(18)19-12(4,5)6/h8H,7H2,1-6H3,(H,13,18)(H,14,15,16,17)
InChIKeyQEZHTDOQEKVOBF-UHFFFAOYSA-N
XLogP2.20
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate (CID 129050666) is tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate is CC(C)(C)CC(NC(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
The InChIKey is QEZHTDOQEKVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-11(2,3)7-8(9-14-16-17-15-9)13-10(18)19-12(4,5)6/h8H,7H2,1-6H3,(H,13,18)(H,14,15,16,17).
What are the key properties of tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate?
tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate has a molecular weight of 269.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate is sourced from PubChem (CID 129050666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).