2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline

C14H19N5O — CID 62384673

IUPAC2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCC1CCOCC1
InChIInChI=1S/C14H19N5O/c1-11-2-3-13(19-10-16-17-18-19)8-14(11)15-9-12-4-6-20-7-5-12/h2-3,8,10,12,15H,4-7,9H2,1H3
InChIKeyIZPKVIJCICSIMY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline

2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline (PubChem CID 62384673) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
PubChem CID62384673
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCC1CCOCC1
InChIInChI=1S/C14H19N5O/c1-11-2-3-13(19-10-16-17-18-19)8-14(11)15-9-12-4-6-20-7-5-12/h2-3,8,10,12,15H,4-7,9H2,1H3
InChIKeyIZPKVIJCICSIMY-UHFFFAOYSA-N
XLogP1.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline (CID 62384673) is 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCC1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is IZPKVIJCICSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-2-3-13(19-10-16-17-18-19)8-14(11)15-9-12-4-6-20-7-5-12/h2-3,8,10,12,15H,4-7,9H2,1H3.
What are the key properties of 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline?
2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 273.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62384673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).