2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

C19H33N — CID 63516669

IUPAC2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccccc1C
InChIInChI=1S/C19H33N/c1-6-12-19(13-7-2,15-20-14-16(3)4)18-11-9-8-10-17(18)5/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeyHZOAMIGZBPQGEG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.08
Rot. Bonds9

About 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (PubChem CID 63516669) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
PubChem CID63516669
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccccc1C
InChIInChI=1S/C19H33N/c1-6-12-19(13-7-2,15-20-14-16(3)4)18-11-9-8-10-17(18)5/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeyHZOAMIGZBPQGEG-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (CID 63516669) is 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC(C)C)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The InChIKey is HZOAMIGZBPQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-12-19(13-7-2,15-20-14-16(3)4)18-11-9-8-10-17(18)5/h8-11,16,20H,6-7,12-15H2,1-5H3.
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63516669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).