4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

C8H17N5O — CID 107046673

IUPAC4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCOCCC(C)(N)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-8(9,4-5-14-3)6-7-10-12-13(2)11-7/h4-6,9H2,1-3H3
InChIKeyIQJWGKZJMHPGGI-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.49
Rot. Bonds5

About 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107046673) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107046673
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCOCCC(C)(N)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-8(9,4-5-14-3)6-7-10-12-13(2)11-7/h4-6,9H2,1-3H3
InChIKeyIQJWGKZJMHPGGI-UHFFFAOYSA-N
XLogP-0.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107046673) is 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is COCCC(C)(N)Cc1nnn(C)n1.
What is the InChIKey of 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is IQJWGKZJMHPGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-8(9,4-5-14-3)6-7-10-12-13(2)11-7/h4-6,9H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 199.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107046673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).