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

C14H25N5O2 — CID 118869296

IUPACtert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)15-9-11-6-4-10(5-7-11)8-12-16-18-19-17-12/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyNPICNRYVDWYXDE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.07
Rot. Bonds4

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

tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate (PubChem CID 118869296) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate
PubChem CID118869296
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)15-9-11-6-4-10(5-7-11)8-12-16-18-19-17-12/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyNPICNRYVDWYXDE-UHFFFAOYSA-N
XLogP2.07
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate (CID 118869296) is tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(Cc2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate?
The InChIKey is NPICNRYVDWYXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)15-9-11-6-4-10(5-7-11)8-12-16-18-19-17-12/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,17,18,19).
What are the key properties of tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate has a molecular weight of 295.39 g/mol, XLogP of 2.07, 4 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-ylmethyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 118869296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).