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

C12H23N5O2 — CID 107051138

IUPACN-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OC)CCOCC1
InChIInChI=1S/C12H23N5O2/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)5-7-19-8-6-12/h10,13H,4-9H2,1-3H3
InChIKeyVBDMFJBSPLLVIM-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.07
Rot. Bonds6

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

N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051138) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051138
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OC)CCOCC1
InChIInChI=1S/C12H23N5O2/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)5-7-19-8-6-12/h10,13H,4-9H2,1-3H3
InChIKeyVBDMFJBSPLLVIM-UHFFFAOYSA-N
XLogP-0.07
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051138) is N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1(OC)CCOCC1.
What is the InChIKey of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is VBDMFJBSPLLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)5-7-19-8-6-12/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 269.35 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).