1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine

C15H26N2 — CID 116949958

IUPAC1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1cc(C)ccc1C)C(C)(C)CCN
InChIInChI=1S/C15H26N2/c1-11-6-7-12(2)13(10-11)14(17-5)15(3,4)8-9-16/h6-7,10,14,17H,8-9,16H2,1-5H3
InChIKeyIJRPLLGTAWUNEP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.94
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine

1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 116949958) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID116949958
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1cc(C)ccc1C)C(C)(C)CCN
InChIInChI=1S/C15H26N2/c1-11-6-7-12(2)13(10-11)14(17-5)15(3,4)8-9-16/h6-7,10,14,17H,8-9,16H2,1-5H3
InChIKeyIJRPLLGTAWUNEP-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-(2,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79198023
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950044
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 116949958) is 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine is CNC(c1cc(C)ccc1C)C(C)(C)CCN.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is IJRPLLGTAWUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-6-7-12(2)13(10-11)14(17-5)15(3,4)8-9-16/h6-7,10,14,17H,8-9,16H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116949958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).