1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine

C9H19N5O — CID 114944254

IUPAC1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)(C)Cn1nnnc1CNC
InChIInChI=1S/C9H19N5O/c1-5-15-9(2,3)7-14-8(6-10-4)11-12-13-14/h10H,5-7H2,1-4H3
InChIKeyGVJKJQTWWKUBGW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds6

About 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 114944254) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID114944254
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)(C)Cn1nnnc1CNC
InChIInChI=1S/C9H19N5O/c1-5-15-9(2,3)7-14-8(6-10-4)11-12-13-14/h10H,5-7H2,1-4H3
InChIKeyGVJKJQTWWKUBGW-UHFFFAOYSA-N
XLogP0.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine (CID 114944254) is 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine is CCOC(C)(C)Cn1nnnc1CNC.
What is the InChIKey of 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is GVJKJQTWWKUBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-5-15-9(2,3)7-14-8(6-10-4)11-12-13-14/h10H,5-7H2,1-4H3.
What are the key properties of 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114944254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).