bis(2-methylaniline);propane

C17H26N2 — CID 158079245

IUPACbis(2-methylaniline);propane
SMILESCCC.Cc1ccccc1N.Cc1ccccc1N
InChIInChI=1S/2C7H9N.C3H8/c2*1-6-4-2-3-5-7(6)8;1-3-2/h2*2-5H,8H2,1H3;3H2,1-2H3
InChIKeyFMTAUHAGESPUQD-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.57
Rot. Bonds

About bis(2-methylaniline);propane

bis(2-methylaniline);propane (PubChem CID 158079245) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is bis(2-methylaniline);propane.

Molecular Properties

Compound Namebis(2-methylaniline);propane
PubChem CID158079245
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Namebis(2-methylaniline);propane
SMILESCCC.Cc1ccccc1N.Cc1ccccc1N
InChIInChI=1S/2C7H9N.C3H8/c2*1-6-4-2-3-5-7(6)8;1-3-2/h2*2-5H,8H2,1H3;3H2,1-2H3
InChIKeyFMTAUHAGESPUQD-UHFFFAOYSA-N
XLogP4.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methylaniline);propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylaniline;propane
CID 144801075
CID 67897123
CID 67897123
CID 175394275
CID 175394275
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
2,6-dimethylaniline;2-methylaniline
CID 160714609
2-methylaniline;2-methylpropan-1-amine
CID 22279170

Frequently Asked Questions

What is the IUPAC name of bis(2-methylaniline);propane?
The IUPAC name of bis(2-methylaniline);propane (CID 158079245) is bis(2-methylaniline);propane.
What is the SMILES notation for bis(2-methylaniline);propane?
The canonical SMILES for bis(2-methylaniline);propane is CCC.Cc1ccccc1N.Cc1ccccc1N.
What is the InChIKey of bis(2-methylaniline);propane?
The InChIKey is FMTAUHAGESPUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.C3H8/c2*1-6-4-2-3-5-7(6)8;1-3-2/h2*2-5H,8H2,1H3;3H2,1-2H3.
What are the key properties of bis(2-methylaniline);propane?
bis(2-methylaniline);propane has a molecular weight of 258.41 g/mol, XLogP of 4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylaniline);propane is sourced from PubChem (CID 158079245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).