tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine

C15H30N10O2 — CID 68884828

IUPACtert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine
SMILESCCn1nnnc1CCN.CCn1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2.C5H11N5/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4;1-2-10-5(3-4-6)7-8-9-10/h5-7H2,1-4H3,(H,11,16);2-4,6H2,1H3
InChIKeySYTWAZLZFVTKLA-UHFFFAOYSA-N
MW382.47 g/mol
LogP-0.05
Rot. Bonds7

About tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine

tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine (PubChem CID 68884828) has the molecular formula C15H30N10O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine
PubChem CID68884828
Molecular FormulaC15H30N10O2
Molecular Weight382.47 g/mol
Exact Mass382.26
IUPAC Nametert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine
SMILESCCn1nnnc1CCN.CCn1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2.C5H11N5/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4;1-2-10-5(3-4-6)7-8-9-10/h5-7H2,1-4H3,(H,11,16);2-4,6H2,1H3
InChIKeySYTWAZLZFVTKLA-UHFFFAOYSA-N
XLogP-0.05
TPSA151.55 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine 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-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine?
The IUPAC name of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine (CID 68884828) is tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine.
What is the SMILES notation for tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine?
The canonical SMILES for tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine is CCn1nnnc1CCN.CCn1nnnc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine?
The InChIKey is SYTWAZLZFVTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2.C5H11N5/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4;1-2-10-5(3-4-6)7-8-9-10/h5-7H2,1-4H3,(H,11,16);2-4,6H2,1H3.
What are the key properties of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine?
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine has a molecular weight of 382.47 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 68884828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).