N,N'-dimethyl-N'-(3-methylphenyl)methanediamine

C10H16N2 — CID 115226747

IUPACN,N'-dimethyl-N'-(3-methylphenyl)methanediamine
SMILESCNCN(C)c1cccc(C)c1
InChIInChI=1S/C10H16N2/c1-9-5-4-6-10(7-9)12(3)8-11-2/h4-7,11H,8H2,1-3H3
InChIKeyIQDKETRHYBSTCS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.61
Rot. Bonds3

About N,N'-dimethyl-N'-(3-methylphenyl)methanediamine

N,N'-dimethyl-N'-(3-methylphenyl)methanediamine (PubChem CID 115226747) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylphenyl)methanediamine
PubChem CID115226747
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N'-dimethyl-N'-(3-methylphenyl)methanediamine
SMILESCNCN(C)c1cccc(C)c1
InChIInChI=1S/C10H16N2/c1-9-5-4-6-10(7-9)12(3)8-11-2/h4-7,11H,8H2,1-3H3
InChIKeyIQDKETRHYBSTCS-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 105347349
N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
CID 138691650
CID 138691650
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
CID 145278615
CID 145278615
CID 70331685
CID 70331685
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylphenyl)methanediamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylphenyl)methanediamine (CID 115226747) is N,N'-dimethyl-N'-(3-methylphenyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylphenyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylphenyl)methanediamine is CNCN(C)c1cccc(C)c1.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylphenyl)methanediamine?
The InChIKey is IQDKETRHYBSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-5-4-6-10(7-9)12(3)8-11-2/h4-7,11H,8H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylphenyl)methanediamine?
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine has a molecular weight of 164.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylphenyl)methanediamine is sourced from PubChem (CID 115226747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).