2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine

C13H22N2 — CID 175188090

IUPAC2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine
SMILESCc1ccc(NC(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C13H22N2/c1-10-6-8-11(9-7-10)15-13(4,5)12(2,3)14/h6-9,15H,14H2,1-5H3
InChIKeySXBVIJPSMWPHOA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds3

About 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine

2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine (PubChem CID 175188090) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine.

Molecular Properties

Compound Name2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine
PubChem CID175188090
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine
SMILESCc1ccc(NC(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C13H22N2/c1-10-6-8-11(9-7-10)15-13(4,5)12(2,3)14/h6-9,15H,14H2,1-5H3
InChIKeySXBVIJPSMWPHOA-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-3-N-phenylbutane-2,3-diamine
CID 141069242
ethane;N-(2-fluoropropan-2-yl)-4-methylaniline
CID 170607976
N-tert-butyl-4-(4-methylphenyl)sulfonylaniline
CID 22358267
N-(2,2-dimethylpropyl)-4-methylaniline
CID 20674504
2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65378377
chloromethane;N-chloro-4-methylaniline
CID 174858040
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-cyclopropyl-2-(4-methylanilino)propanenitrile
CID 60986860
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine?
The IUPAC name of 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine (CID 175188090) is 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine.
What is the SMILES notation for 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine?
The canonical SMILES for 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine is Cc1ccc(NC(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine?
The InChIKey is SXBVIJPSMWPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-6-8-11(9-7-10)15-13(4,5)12(2,3)14/h6-9,15H,14H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine?
2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine is sourced from PubChem (CID 175188090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).