2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine

C10H19N5O2 — CID 62736298

IUPAC2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O2/c1-16-6-4-11-7-10-12-13-14-15(10)8-9-3-2-5-17-9/h9,11H,2-8H2,1H3
InChIKeyHEIGDNHBLPVENP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.41
Rot. Bonds7

About 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736298) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736298
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O2/c1-16-6-4-11-7-10-12-13-14-15(10)8-9-3-2-5-17-9/h9,11H,2-8H2,1H3
InChIKeyHEIGDNHBLPVENP-UHFFFAOYSA-N
XLogP-0.41
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine (CID 62736298) is 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CC1CCCO1.
What is the InChIKey of 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is HEIGDNHBLPVENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-16-6-4-11-7-10-12-13-14-15(10)8-9-3-2-5-17-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 241.29 g/mol, XLogP of -0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).