2-[methyl(methylamino)amino]aniline

C8H13N3 — CID 89255912

IUPAC2-[methyl(methylamino)amino]aniline
SMILESCNN(C)c1ccccc1N
InChIInChI=1S/C8H13N3/c1-10-11(2)8-6-4-3-5-7(8)9/h3-6,10H,9H2,1-2H3
InChIKeyCOVQGQGWHIZQMT-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.84
Rot. Bonds2

About 2-[methyl(methylamino)amino]aniline

2-[methyl(methylamino)amino]aniline (PubChem CID 89255912) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[methyl(methylamino)amino]aniline.

Molecular Properties

Compound Name2-[methyl(methylamino)amino]aniline
PubChem CID89255912
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[methyl(methylamino)amino]aniline
SMILESCNN(C)c1ccccc1N
InChIInChI=1S/C8H13N3/c1-10-11(2)8-6-4-3-5-7(8)9/h3-6,10H,9H2,1-2H3
InChIKeyCOVQGQGWHIZQMT-UHFFFAOYSA-N
XLogP0.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylamino)amino]aniline?
The IUPAC name of 2-[methyl(methylamino)amino]aniline (CID 89255912) is 2-[methyl(methylamino)amino]aniline.
What is the SMILES notation for 2-[methyl(methylamino)amino]aniline?
The canonical SMILES for 2-[methyl(methylamino)amino]aniline is CNN(C)c1ccccc1N.
What is the InChIKey of 2-[methyl(methylamino)amino]aniline?
The InChIKey is COVQGQGWHIZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-10-11(2)8-6-4-3-5-7(8)9/h3-6,10H,9H2,1-2H3.
What are the key properties of 2-[methyl(methylamino)amino]aniline?
2-[methyl(methylamino)amino]aniline has a molecular weight of 151.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylamino)amino]aniline is sourced from PubChem (CID 89255912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).