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

C15H21N5O — CID 62720099

IUPACN-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2nnnn2-c2ccccc2)CCOC1
InChIInChI=1S/C15H21N5O/c1-2-16-11-15(8-9-21-12-15)10-14-17-18-19-20(14)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3
InChIKeyNRTMKLSHLFQNRX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.22
Rot. Bonds6

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

N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62720099) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62720099
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2nnnn2-c2ccccc2)CCOC1
InChIInChI=1S/C15H21N5O/c1-2-16-11-15(8-9-21-12-15)10-14-17-18-19-20(14)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3
InChIKeyNRTMKLSHLFQNRX-UHFFFAOYSA-N
XLogP1.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 62720099) is N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2nnnn2-c2ccccc2)CCOC1.
What is the InChIKey of N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is NRTMKLSHLFQNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-16-11-15(8-9-21-12-15)10-14-17-18-19-20(14)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3.
What are the key properties of N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 287.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62720099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).