5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine

C18H31N — CID 115483394

IUPAC5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
SMILESCCc1ccc(CCC(C)(C)CCNC)cc1CC
InChIInChI=1S/C18H31N/c1-6-16-9-8-15(14-17(16)7-2)10-11-18(3,4)12-13-19-5/h8-9,14,19H,6-7,10-13H2,1-5H3
InChIKeyJUTBYMSIQYOXQA-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.38
Rot. Bonds8

About 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine

5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine (PubChem CID 115483394) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
PubChem CID115483394
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
SMILESCCc1ccc(CCC(C)(C)CCNC)cc1CC
InChIInChI=1S/C18H31N/c1-6-16-9-8-15(14-17(16)7-2)10-11-18(3,4)12-13-19-5/h8-9,14,19H,6-7,10-13H2,1-5H3
InChIKeyJUTBYMSIQYOXQA-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine?
The IUPAC name of 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine (CID 115483394) is 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine.
What is the SMILES notation for 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine?
The canonical SMILES for 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine is CCc1ccc(CCC(C)(C)CCNC)cc1CC.
What is the InChIKey of 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine?
The InChIKey is JUTBYMSIQYOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-16-9-8-15(14-17(16)7-2)10-11-18(3,4)12-13-19-5/h8-9,14,19H,6-7,10-13H2,1-5H3.
What are the key properties of 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine?
5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine is sourced from PubChem (CID 115483394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).