tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate

C11H21N5O2 — CID 70853606

IUPACtert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate
SMILESCC(C)n1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N5O2/c1-8(2)16-9(13-14-15-16)6-7-12-10(17)18-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,17)
InChIKeyLKRNXALNNNPRNS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.32
Rot. Bonds4

About tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate

tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate (PubChem CID 70853606) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate
PubChem CID70853606
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Nametert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate
SMILESCC(C)n1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N5O2/c1-8(2)16-9(13-14-15-16)6-7-12-10(17)18-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,17)
InChIKeyLKRNXALNNNPRNS-UHFFFAOYSA-N
XLogP1.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate (CID 70853606) is tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate is CC(C)n1nnnc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate?
The InChIKey is LKRNXALNNNPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-8(2)16-9(13-14-15-16)6-7-12-10(17)18-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,17).
What are the key properties of tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 70853606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).