1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C13H25N5O2 — CID 107051149

IUPAC1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OCC)CCOCC1
InChIInChI=1S/C13H25N5O2/c1-4-14-11(10-12-15-17-18(3)16-12)13(20-5-2)6-8-19-9-7-13/h11,14H,4-10H2,1-3H3
InChIKeyRLKSFEAPGWTIJB-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.32
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051149) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051149
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OCC)CCOCC1
InChIInChI=1S/C13H25N5O2/c1-4-14-11(10-12-15-17-18(3)16-12)13(20-5-2)6-8-19-9-7-13/h11,14H,4-10H2,1-3H3
InChIKeyRLKSFEAPGWTIJB-UHFFFAOYSA-N
XLogP0.32
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051205
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116765952
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 116765898
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051149) is 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is RLKSFEAPGWTIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-14-11(10-12-15-17-18(3)16-12)13(20-5-2)6-8-19-9-7-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).