2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C14H19N5O — CID 102671747

IUPAC2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESc1ccc(-n2nnnc2CNCCC2CCOC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)19-14(16-17-18-19)10-15-8-6-12-7-9-20-11-12/h1-5,12,15H,6-11H2
InChIKeyVFYOGLIXEQJBGJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds6

About 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 102671747) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID102671747
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESc1ccc(-n2nnnc2CNCCC2CCOC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)19-14(16-17-18-19)10-15-8-6-12-7-9-20-11-12/h1-5,12,15H,6-11H2
InChIKeyVFYOGLIXEQJBGJ-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 126439740
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 62977216
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol
CID 81133605
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 102671747) is 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is c1ccc(-n2nnnc2CNCCC2CCOC2)cc1.
What is the InChIKey of 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is VFYOGLIXEQJBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-4-13(5-3-1)19-14(16-17-18-19)10-15-8-6-12-7-9-20-11-12/h1-5,12,15H,6-11H2.
What are the key properties of 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 102671747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).