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

C14H26N6O2 — CID 103695472

IUPACtert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)16-8-10-6-4-5-7-11(10)15-9-12-17-19-20-18-12/h10-11,15H,4-9H2,1-3H3,(H,16,21)(H,17,18,19,20)
InChIKeyJIUCRDFPRSBYKF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.37
Rot. Bonds5

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

tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 103695472) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID103695472
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nametert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)16-8-10-6-4-5-7-11(10)15-9-12-17-19-20-18-12/h10-11,15H,4-9H2,1-3H3,(H,16,21)(H,17,18,19,20)
InChIKeyJIUCRDFPRSBYKF-UHFFFAOYSA-N
XLogP1.37
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.37
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-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate (CID 103695472) is tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCc1nn[nH]n1.
What is the InChIKey of tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is JIUCRDFPRSBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)16-8-10-6-4-5-7-11(10)15-9-12-17-19-20-18-12/h10-11,15H,4-9H2,1-3H3,(H,16,21)(H,17,18,19,20).
What are the key properties of tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.37, 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-(2H-tetrazol-5-ylmethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).