5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

C20H35N — CID 115483386

IUPAC5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCc1ccc(CCC(C)CCNCC(C)C)cc1CC
InChIInChI=1S/C20H35N/c1-6-19-11-10-18(14-20(19)7-2)9-8-17(5)12-13-21-15-16(3)4/h10-11,14,16-17,21H,6-9,12-13,15H2,1-5H3
InChIKeySWGXNANKTPZLLK-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.02
Rot. Bonds10

About 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 115483386) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID115483386
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCc1ccc(CCC(C)CCNCC(C)C)cc1CC
InChIInChI=1S/C20H35N/c1-6-19-11-10-18(14-20(19)7-2)9-8-17(5)12-13-21-15-16(3)4/h10-11,14,16-17,21H,6-9,12-13,15H2,1-5H3
InChIKeySWGXNANKTPZLLK-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (CID 115483386) is 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is CCc1ccc(CCC(C)CCNCC(C)C)cc1CC.
What is the InChIKey of 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is SWGXNANKTPZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-19-11-10-18(14-20(19)7-2)9-8-17(5)12-13-21-15-16(3)4/h10-11,14,16-17,21H,6-9,12-13,15H2,1-5H3.
What are the key properties of 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 115483386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).