N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine

C11H21N5O — CID 107049472

IUPACN-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1CCCOC1
InChIInChI=1S/C11H21N5O/c1-3-12-10(9-5-4-6-17-8-9)7-11-13-15-16(2)14-11/h9-10,12H,3-8H2,1-2H3
InChIKeyQSRRYKSZXKIWGR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds5

About N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine

N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine (PubChem CID 107049472) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine
PubChem CID107049472
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1CCCOC1
InChIInChI=1S/C11H21N5O/c1-3-12-10(9-5-4-6-17-8-9)7-11-13-15-16(2)14-11/h9-10,12H,3-8H2,1-2H3
InChIKeyQSRRYKSZXKIWGR-UHFFFAOYSA-N
XLogP0.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine (CID 107049472) is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1CCCOC1.
What is the InChIKey of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine?
The InChIKey is QSRRYKSZXKIWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-12-10(9-5-4-6-17-8-9)7-11-13-15-16(2)14-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine?
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107049472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).