N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C14H19N5O — CID 107853826

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C1Cc2ccccc2C1
InChIInChI=1S/C14H19N5O/c1-20-7-6-15-10-14-16-17-18-19(14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,15H,6-10H2,1H3
InChIKeyZRSUIDUFMAEJRN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 107853826) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID107853826
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C1Cc2ccccc2C1
InChIInChI=1S/C14H19N5O/c1-20-7-6-15-10-14-16-17-18-19(14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,15H,6-10H2,1H3
InChIKeyZRSUIDUFMAEJRN-UHFFFAOYSA-N
XLogP0.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737442
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
CID 114241326
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66152200
2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 79756983
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106894431
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62994447
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 107853826) is N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1C1Cc2ccccc2C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZRSUIDUFMAEJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-7-6-15-10-14-16-17-18-19(14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,15H,6-10H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 273.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107853826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).