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

C12H21N5O2 — CID 146435492

IUPACtert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)13-9-6-4-8(5-7-9)10-14-16-17-15-10/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeyFAVABPMAGDBMEM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.75
Rot. Bonds2

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

tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate (PubChem CID 146435492) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
PubChem CID146435492
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nametert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)13-9-6-4-8(5-7-9)10-14-16-17-15-10/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeyFAVABPMAGDBMEM-UHFFFAOYSA-N
XLogP1.75
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[amino(2H-1,2,3,4-tetrazol-5-yl)methyl]piperidine-1-carboxylate
CID 170912369
tert-butyl N-[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 15337078
tert-butyl N-[4-methyl-2-(2H-tetrazol-5-ylmethyl)pentyl]carbamate
CID 53893543
tert-butyl N-[5-cyano-2-(2-methylpropyl)-3-(2H-tetrazol-5-yl)pentyl]carbamate
CID 53980568
tert-butyl [(1S,2R)-2-(2H-tetrazole-5-yl)cyclopentyl]carbamate
CID 59453988
tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate
CID 118869296
tert-butyl N-methyl-N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
CID 121281374
tert-butyl trans-4-(2H-tetrazol-5-yl)cyclohexylmethylcarbamate
CID 121281375
tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 129050666
tert-butyl N-[(1S)-3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 129050668
tert-butyl N-[4-(2H-tetrazol-5-yl)butyl]carbamate
CID 129987149
tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
CID 146389194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate (CID 146435492) is tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
The InChIKey is FAVABPMAGDBMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)13-9-6-4-8(5-7-9)10-14-16-17-15-10/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16,17).
What are the key properties of tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate has a molecular weight of 267.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate is sourced from PubChem (CID 146435492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).