3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

C9H19N5O — CID 107051052

IUPAC3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCCOC(C)(C)C(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-5-15-9(2,3)7(10)6-8-11-13-14(4)12-8/h7H,5-6,10H2,1-4H3
InChIKeyHODMXYJZIGKLTI-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.10
Rot. Bonds5

About 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107051052) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107051052
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCCOC(C)(C)C(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-5-15-9(2,3)7(10)6-8-11-13-14(4)12-8/h7H,5-6,10H2,1-4H3
InChIKeyHODMXYJZIGKLTI-UHFFFAOYSA-N
XLogP-0.10
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107051052) is 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is CCOC(C)(C)C(N)Cc1nnn(C)n1.
What is the InChIKey of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is HODMXYJZIGKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-5-15-9(2,3)7(10)6-8-11-13-14(4)12-8/h7H,5-6,10H2,1-4H3.
What are the key properties of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 213.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107051052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).