2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine

C15H26N2 — CID 62260800

IUPAC2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-5-15(6-2,11-16)12-17(4)14-10-8-7-9-13(14)3/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyAXXMFQQYDIZJGG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.20
Rot. Bonds6

About 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine

2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62260800) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID62260800
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-5-15(6-2,11-16)12-17(4)14-10-8-7-9-13(14)3/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyAXXMFQQYDIZJGG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(N,2-dimethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
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2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine
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ethanamine;1,2-xylene
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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine (CID 62260800) is 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine is CCC(CC)(CN)CN(C)c1ccccc1C.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is AXXMFQQYDIZJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(6-2,11-16)12-17(4)14-10-8-7-9-13(14)3/h7-10H,5-6,11-12,16H2,1-4H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62260800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).