N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C12H23N5O2 — CID 63826562

IUPACN-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1CCOC1CCCC1
InChIInChI=1S/C12H23N5O2/c1-18-8-6-13-10-12-14-15-16-17(12)7-9-19-11-4-2-3-5-11/h11,13H,2-10H2,1H3
InChIKeyGNUMUGQILPITNG-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.37
Rot. Bonds9

About N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 63826562) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID63826562
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1CCOC1CCCC1
InChIInChI=1S/C12H23N5O2/c1-18-8-6-13-10-12-14-15-16-17(12)7-9-19-11-4-2-3-5-11/h11,13H,2-10H2,1H3
InChIKeyGNUMUGQILPITNG-UHFFFAOYSA-N
XLogP0.37
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.37
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 63826562) is N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1CCOC1CCCC1.
What is the InChIKey of N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is GNUMUGQILPITNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-18-8-6-13-10-12-14-15-16-17(12)7-9-19-11-4-2-3-5-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 269.35 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63826562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).