2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline

C11H16N6 — CID 107043648

IUPAC2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1nnn(C)n1)Cc1ccccc1N
InChIInChI=1S/C11H16N6/c1-16(8-11-13-15-17(2)14-11)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3
InChIKeyIFLVQZDLRRFDMM-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.42
Rot. Bonds4

About 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline

2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline (PubChem CID 107043648) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
PubChem CID107043648
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1nnn(C)n1)Cc1ccccc1N
InChIInChI=1S/C11H16N6/c1-16(8-11-13-15-17(2)14-11)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3
InChIKeyIFLVQZDLRRFDMM-UHFFFAOYSA-N
XLogP0.42
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
CID 107043699
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline?
The IUPAC name of 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline (CID 107043648) is 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline is CN(Cc1nnn(C)n1)Cc1ccccc1N.
What is the InChIKey of 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline?
The InChIKey is IFLVQZDLRRFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16(8-11-13-15-17(2)14-11)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline?
2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline has a molecular weight of 232.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 107043648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).