1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine

C9H19N5O2 — CID 107050132

IUPAC1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCOC(OCC)C(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O2/c1-4-15-9(16-5-2)7(10)6-8-11-13-14(3)12-8/h7,9H,4-6,10H2,1-3H3
InChIKeyQSALYCYJVLKAFU-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.52
Rot. Bonds7

About 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine

1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107050132) has the molecular formula C9H19N5O2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107050132
Molecular FormulaC9H19N5O2
Molecular Weight229.28 g/mol
Exact Mass229.15
IUPAC Name1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCOC(OCC)C(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O2/c1-4-15-9(16-5-2)7(10)6-8-11-13-14(3)12-8/h7,9H,4-6,10H2,1-3H3
InChIKeyQSALYCYJVLKAFU-UHFFFAOYSA-N
XLogP-0.52
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107048155
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(4-ethylthiadiazol-5-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064868
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
N,3-diethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107064998
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107050132) is 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine is CCOC(OCC)C(N)Cc1nnn(C)n1.
What is the InChIKey of 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is QSALYCYJVLKAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2/c1-4-15-9(16-5-2)7(10)6-8-11-13-14(3)12-8/h7,9H,4-6,10H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine?
1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 229.28 g/mol, XLogP of -0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107050132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).