tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate

C13H23N5O2 — CID 121281374

IUPACtert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18(4)10-7-5-9(6-8-10)11-14-16-17-15-11/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyKFAYGESRBNGVDA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate

tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate (PubChem CID 121281374) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
PubChem CID121281374
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nametert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18(4)10-7-5-9(6-8-10)11-14-16-17-15-11/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyKFAYGESRBNGVDA-UHFFFAOYSA-N
XLogP2.09
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate (CID 121281374) is tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate is CN(C(=O)OC(C)(C)C)C1CCC(c2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The InChIKey is KFAYGESRBNGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18(4)10-7-5-9(6-8-10)11-14-16-17-15-11/h9-10H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate is sourced from PubChem (CID 121281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).