N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine

C14H21N5O — CID 3193414

IUPACN-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnnn1CCOC
InChIInChI=1S/C14H21N5O/c1-3-18(11-13-7-5-4-6-8-13)12-14-15-16-17-19(14)9-10-20-2/h4-8H,3,9-12H2,1-2H3
InChIKeyZGAODUQVAFFOOE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.34
Rot. Bonds8

About N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine

N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 3193414) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID3193414
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnnn1CCOC
InChIInChI=1S/C14H21N5O/c1-3-18(11-13-7-5-4-6-8-13)12-14-15-16-17-19(14)9-10-20-2/h4-8H,3,9-12H2,1-2H3
InChIKeyZGAODUQVAFFOOE-UHFFFAOYSA-N
XLogP1.34
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine (CID 3193414) is N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine is CCN(Cc1ccccc1)Cc1nnnn1CCOC.
What is the InChIKey of N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is ZGAODUQVAFFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-18(11-13-7-5-4-6-8-13)12-14-15-16-17-19(14)9-10-20-2/h4-8H,3,9-12H2,1-2H3.
What are the key properties of N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine?
N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 3193414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).