2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine

C11H21N5O2 — CID 114241326

IUPAC2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1C1CCOCC1C
InChIInChI=1S/C11H21N5O2/c1-9-8-18-5-3-10(9)16-11(13-14-15-16)7-12-4-6-17-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXSMBQMBCYKAYBC-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.01
Rot. Bonds6

About 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 114241326) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID114241326
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1C1CCOCC1C
InChIInChI=1S/C11H21N5O2/c1-9-8-18-5-3-10(9)16-11(13-14-15-16)7-12-4-6-17-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXSMBQMBCYKAYBC-UHFFFAOYSA-N
XLogP0.01
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737442
1-(3-methyloxan-4-yl)tetrazol-5-amine
CID 130491831
N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737427
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 80715224
N-methyl-1-[1-(oxan-4-yl)tetrazol-5-yl]methanamine
CID 62737642
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine (CID 114241326) is 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1C1CCOCC1C.
What is the InChIKey of 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is XSMBQMBCYKAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-9-8-18-5-3-10(9)16-11(13-14-15-16)7-12-4-6-17-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).