4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline

C14H19N5O — CID 82835839

IUPAC4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CCC(C)O2)cc1-n1cnnn1
InChIInChI=1S/C14H19N5O/c1-10-3-5-12(7-14(10)19-9-16-17-18-19)15-8-13-6-4-11(2)20-13/h3,5,7,9,11,13,15H,4,6,8H2,1-2H3
InChIKeyHOWDBUHKRQDNQU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.95
Rot. Bonds4

About 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline

4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 82835839) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID82835839
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CCC(C)O2)cc1-n1cnnn1
InChIInChI=1S/C14H19N5O/c1-10-3-5-12(7-14(10)19-9-16-17-18-19)15-8-13-6-4-11(2)20-13/h3,5,7,9,11,13,15H,4,6,8H2,1-2H3
InChIKeyHOWDBUHKRQDNQU-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 82835839) is 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline is Cc1ccc(NCC2CCC(C)O2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is HOWDBUHKRQDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-3-5-12(7-14(10)19-9-16-17-18-19)15-8-13-6-4-11(2)20-13/h3,5,7,9,11,13,15H,4,6,8H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 273.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 82835839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).