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

C13H23N5O2 — CID 146389194

IUPACtert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
SMILESCn1nnc(C2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-17-18(4)16-11/h9-10H,5-8H2,1-4H3,(H,14,19)
InChIKeyFRJKLCAGIVGLGU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.76
Rot. Bonds2

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

tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate (PubChem CID 146389194) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
PubChem CID146389194
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nametert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
SMILESCn1nnc(C2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-17-18(4)16-11/h9-10H,5-8H2,1-4H3,(H,14,19)
InChIKeyFRJKLCAGIVGLGU-UHFFFAOYSA-N
XLogP1.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-methyl-2-(2H-tetrazol-5-ylmethyl)pentyl]carbamate
CID 53893543
tert-butyl N-[[(2S)-2-methyl-3-(2-methyltetrazol-5-yl)cyclopropyl]methyl]carbamate
CID 68396471
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-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
CID 146435492
tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate
CID 146435493
tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate
CID 172787774
tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate
CID 103695471
tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695472
Tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092802
Tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092803

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate (CID 146389194) is tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate is Cn1nnc(C2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate?
The InChIKey is FRJKLCAGIVGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-17-18(4)16-11/h9-10H,5-8H2,1-4H3,(H,14,19).
What are the key properties of tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate is sourced from PubChem (CID 146389194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).