tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate

C13H23N5O2 — CID 146435493

IUPACtert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate
SMILESCn1nnnc1C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-16-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,14,19)
InChIKeyPZLNOSILQVYYNU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate

tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate (PubChem CID 146435493) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate
PubChem CID146435493
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nametert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate
SMILESCn1nnnc1C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-16-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,14,19)
InChIKeyPZLNOSILQVYYNU-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

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Related Compounds

tert-butyl N-[2-[[1-(2-cyanoethyl)tetrazol-5-yl]methyl]-4-methylpentyl]carbamate
CID 69424134
tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
CID 146389194
[4-(1-Methyltetrazol-5-yl)cyclohexyl]carbamic acid
CID 146423260
tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
CID 146435492

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate (CID 146435493) is tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate is Cn1nnnc1C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate?
The InChIKey is PZLNOSILQVYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10-7-5-9(6-8-10)11-15-16-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,14,19).
What are the key properties of tert-butyl N-[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(1-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-(1-methyltetrazol-5-yl)cyclohexyl]carbamate is sourced from PubChem (CID 146435493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).