N,N'-bis(2,6-dimethylphenyl)methanediamine

C17H22N2 — CID 21130207

IUPACN,N'-bis(2,6-dimethylphenyl)methanediamine
SMILESCc1cccc(C)c1NCNc1c(C)cccc1C
InChIInChI=1S/C17H22N2/c1-12-7-5-8-13(2)16(12)18-11-19-17-14(3)9-6-10-15(17)4/h5-10,18-19H,11H2,1-4H3
InChIKeyFICRCFUYRUWRSE-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.40
Rot. Bonds4

About N,N'-bis(2,6-dimethylphenyl)methanediamine

N,N'-bis(2,6-dimethylphenyl)methanediamine (PubChem CID 21130207) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)methanediamine
PubChem CID21130207
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN,N'-bis(2,6-dimethylphenyl)methanediamine
SMILESCc1cccc(C)c1NCNc1c(C)cccc1C
InChIInChI=1S/C17H22N2/c1-12-7-5-8-13(2)16(12)18-11-19-17-14(3)9-6-10-15(17)4/h5-10,18-19H,11H2,1-4H3
InChIKeyFICRCFUYRUWRSE-UHFFFAOYSA-N
XLogP4.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
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

N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
CID 142146831
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
N'-[2-(2,6-dimethylanilino)ethyl]-N-(2,6-dimethylphenyl)-N'-iodoethane-1,2-diamine
CID 89273977
2,6-dimethyl-N-(4-methylpentyl)aniline
CID 83156860
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
N'-[(2,6-dimethylanilino)methyl]-N-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 87161768
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)methanediamine?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)methanediamine (CID 21130207) is N,N'-bis(2,6-dimethylphenyl)methanediamine.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)methanediamine?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)methanediamine is Cc1cccc(C)c1NCNc1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)methanediamine?
The InChIKey is FICRCFUYRUWRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-5-8-13(2)16(12)18-11-19-17-14(3)9-6-10-15(17)4/h5-10,18-19H,11H2,1-4H3.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)methanediamine?
N,N'-bis(2,6-dimethylphenyl)methanediamine has a molecular weight of 254.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dimethylphenyl)methanediamine is sourced from PubChem (CID 21130207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).