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

C14H26N6O2 — CID 103695755

IUPACtert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-9(12-17-19-20-18-12)16-11-7-5-6-10(11)8-15-13(21)22-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,21)(H,17,18,19,20)
InChIKeyUZPKQQHMGGNCTL-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.54
Rot. Bonds5

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

tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103695755) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103695755
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nametert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-9(12-17-19-20-18-12)16-11-7-5-6-10(11)8-15-13(21)22-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,21)(H,17,18,19,20)
InChIKeyUZPKQQHMGGNCTL-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate (CID 103695755) is tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is UZPKQQHMGGNCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-9(12-17-19-20-18-12)16-11-7-5-6-10(11)8-15-13(21)22-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,21)(H,17,18,19,20).
What are the key properties of tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.54, 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]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).