3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline

C13H17N5O — CID 107235182

IUPAC3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCC2(C)COC2)ccc1-n1cnnn1
InChIInChI=1S/C13H17N5O/c1-10-5-11(14-6-13(2)7-19-8-13)3-4-12(10)18-9-15-16-17-18/h3-5,9,14H,6-8H2,1-2H3
InChIKeyXZKXGBOMXRXDAD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds4

About 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline

3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 107235182) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID107235182
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCC2(C)COC2)ccc1-n1cnnn1
InChIInChI=1S/C13H17N5O/c1-10-5-11(14-6-13(2)7-19-8-13)3-4-12(10)18-9-15-16-17-18/h3-5,9,14H,6-8H2,1-2H3
InChIKeyXZKXGBOMXRXDAD-UHFFFAOYSA-N
XLogP1.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662117
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
5-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 107235182) is 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1cc(NCC2(C)COC2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is XZKXGBOMXRXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-5-11(14-6-13(2)7-19-8-13)3-4-12(10)18-9-15-16-17-18/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 259.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 107235182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).