3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine

C10H21N5O — CID 107050991

IUPAC3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5O/c1-5-16-10(7(2)3)8(11)6-9-12-14-15(4)13-9/h7-8,10H,5-6,11H2,1-4H3
InChIKeyVASPEJRCMCDLTL-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.14
Rot. Bonds6

About 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine

3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine (PubChem CID 107050991) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
PubChem CID107050991
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5O/c1-5-16-10(7(2)3)8(11)6-9-12-14-15(4)13-9/h7-8,10H,5-6,11H2,1-4H3
InChIKeyVASPEJRCMCDLTL-UHFFFAOYSA-N
XLogP0.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine 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 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine (CID 107050991) is 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine is CCOC(C(C)C)C(N)Cc1nnn(C)n1.
What is the InChIKey of 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The InChIKey is VASPEJRCMCDLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-5-16-10(7(2)3)8(11)6-9-12-14-15(4)13-9/h7-8,10H,5-6,11H2,1-4H3.
What are the key properties of 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 107050991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).