2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine

C15H26N2 — CID 82107513

IUPAC2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1c(C)cccc1C
InChIInChI=1S/C15H26N2/c1-5-17(6-2)11-14(10-16)15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11,16H2,1-4H3
InChIKeyYBYWKGQCGNHIJY-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.69
Rot. Bonds6

About 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine

2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 82107513) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID82107513
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1c(C)cccc1C
InChIInChI=1S/C15H26N2/c1-5-17(6-2)11-14(10-16)15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11,16H2,1-4H3
InChIKeyYBYWKGQCGNHIJY-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine (CID 82107513) is 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CC(CN)c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is YBYWKGQCGNHIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-17(6-2)11-14(10-16)15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11,16H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine?
2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82107513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).