2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline

C14H21N5 — CID 43700067

IUPAC2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
SMILESCCCC(C)CNc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H21N5/c1-4-5-11(2)9-15-14-8-13(7-6-12(14)3)19-10-16-17-18-19/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyOQJKEMCASCXZQV-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.82
Rot. Bonds6

About 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline

2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline (PubChem CID 43700067) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
PubChem CID43700067
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
SMILESCCCC(C)CNc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H21N5/c1-4-5-11(2)9-15-14-8-13(7-6-12(14)3)19-10-16-17-18-19/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyOQJKEMCASCXZQV-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 47066552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline (CID 43700067) is 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline is CCCC(C)CNc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is OQJKEMCASCXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-11(2)9-15-14-8-13(7-6-12(14)3)19-10-16-17-18-19/h6-8,10-11,15H,4-5,9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline?
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 259.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).