2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine

C9H17N5O — CID 107049459

IUPAC2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCOCC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-8(10)7-2-4-15-5-3-7/h7-8H,2-6,10H2,1H3
InChIKeyXOFTVPLRMNAFBL-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine

2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine (PubChem CID 107049459) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine
PubChem CID107049459
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCOCC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-8(10)7-2-4-15-5-3-7/h7-8H,2-6,10H2,1H3
InChIKeyXOFTVPLRMNAFBL-UHFFFAOYSA-N
XLogP-0.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
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 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine (CID 107049459) is 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine is Cn1nnc(CC(N)C2CCOCC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine?
The InChIKey is XOFTVPLRMNAFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-9(11-13-14)6-8(10)7-2-4-15-5-3-7/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine?
2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine has a molecular weight of 211.27 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 107049459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).