tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate

C15H28N6O2 — CID 103695471

IUPACtert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate
SMILESCC(NC1CCCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C15H28N6O2/c1-10(13-18-20-21-19-13)17-12-8-6-5-7-11(12)9-16-14(22)23-15(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,16,22)(H,18,19,20,21)
InChIKeyIEXHOURPSZOPSA-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.93
Rot. Bonds5

About tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate (PubChem CID 103695471) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate
PubChem CID103695471
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Nametert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate
SMILESCC(NC1CCCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C15H28N6O2/c1-10(13-18-20-21-19-13)17-12-8-6-5-7-11(12)9-16-14(22)23-15(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,16,22)(H,18,19,20,21)
InChIKeyIEXHOURPSZOPSA-UHFFFAOYSA-N
XLogP1.93
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate (CID 103695471) is tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate is CC(NC1CCCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate?
The InChIKey is IEXHOURPSZOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-10(13-18-20-21-19-13)17-12-8-6-5-7-11(12)9-16-14(22)23-15(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,16,22)(H,18,19,20,21).
What are the key properties of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).