1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine

C13H22N2 — CID 116933361

IUPAC1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(C(N)C(C)(C)CN)c1
InChIInChI=1S/C13H22N2/c1-9-5-6-10(2)11(7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3
InChIKeyATQIEJLGDSLDDT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine

1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 116933361) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID116933361
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(C(N)C(C)(C)CN)c1
InChIInChI=1S/C13H22N2/c1-9-5-6-10(2)11(7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3
InChIKeyATQIEJLGDSLDDT-UHFFFAOYSA-N
XLogP2.29
TPSA52.04 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069136
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2-(1-bromo-2,2-dimethylbutyl)-1,4-dimethylbenzene
CID 63442120
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 116933361) is 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is Cc1ccc(C)c(C(N)C(C)(C)CN)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is ATQIEJLGDSLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-5-6-10(2)11(7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116933361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).