2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine

C20H35N — CID 82984763

IUPAC2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine
SMILESCCCC(CCC)C(N)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C20H35N/c1-6-11-18(12-7-2)20(21)19-16(9-4)13-15(8-3)14-17(19)10-5/h13-14,18,20H,6-12,21H2,1-5H3
InChIKeySZDDUTWPRWPUMB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.59
Rot. Bonds9

About 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine

2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine (PubChem CID 82984763) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine
PubChem CID82984763
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine
SMILESCCCC(CCC)C(N)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C20H35N/c1-6-11-18(12-7-2)20(21)19-16(9-4)13-15(8-3)14-17(19)10-5/h13-14,18,20H,6-12,21H2,1-5H3
InChIKeySZDDUTWPRWPUMB-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine?
The IUPAC name of 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine (CID 82984763) is 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine.
What is the SMILES notation for 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine?
The canonical SMILES for 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine is CCCC(CCC)C(N)c1c(CC)cc(CC)cc1CC.
What is the InChIKey of 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine?
The InChIKey is SZDDUTWPRWPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-11-18(12-7-2)20(21)19-16(9-4)13-15(8-3)14-17(19)10-5/h13-14,18,20H,6-12,21H2,1-5H3.
What are the key properties of 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine?
2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine is sourced from PubChem (CID 82984763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).