6-(2,5-diethylphenyl)-2-methylhexan-3-amine

C17H29N — CID 83920903

IUPAC6-(2,5-diethylphenyl)-2-methylhexan-3-amine
SMILESCCc1ccc(CC)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C17H29N/c1-5-14-10-11-15(6-2)16(12-14)8-7-9-17(18)13(3)4/h10-13,17H,5-9,18H2,1-4H3
InChIKeyJLBMFDLNLCVCJE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.12
Rot. Bonds7

About 6-(2,5-diethylphenyl)-2-methylhexan-3-amine

6-(2,5-diethylphenyl)-2-methylhexan-3-amine (PubChem CID 83920903) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 6-(2,5-diethylphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(2,5-diethylphenyl)-2-methylhexan-3-amine
PubChem CID83920903
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name6-(2,5-diethylphenyl)-2-methylhexan-3-amine
SMILESCCc1ccc(CC)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C17H29N/c1-5-14-10-11-15(6-2)16(12-14)8-7-9-17(18)13(3)4/h10-13,17H,5-9,18H2,1-4H3
InChIKeyJLBMFDLNLCVCJE-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diethylphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(2,5-diethylphenyl)-2-methylhexan-3-amine (CID 83920903) is 6-(2,5-diethylphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(2,5-diethylphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(2,5-diethylphenyl)-2-methylhexan-3-amine is CCc1ccc(CC)c(CCCC(N)C(C)C)c1.
What is the InChIKey of 6-(2,5-diethylphenyl)-2-methylhexan-3-amine?
The InChIKey is JLBMFDLNLCVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-14-10-11-15(6-2)16(12-14)8-7-9-17(18)13(3)4/h10-13,17H,5-9,18H2,1-4H3.
What are the key properties of 6-(2,5-diethylphenyl)-2-methylhexan-3-amine?
6-(2,5-diethylphenyl)-2-methylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diethylphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).