1-(2,3,5,6-tetramethylphenyl)pentan-3-amine

C15H25N — CID 82472484

IUPAC1-(2,3,5,6-tetramethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H25N/c1-6-14(16)7-8-15-12(4)10(2)9-11(3)13(15)5/h9,14H,6-8,16H2,1-5H3
InChIKeyWMEQYORXTOAZQH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.59
Rot. Bonds4

About 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine

1-(2,3,5,6-tetramethylphenyl)pentan-3-amine (PubChem CID 82472484) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)pentan-3-amine
PubChem CID82472484
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(2,3,5,6-tetramethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H25N/c1-6-14(16)7-8-15-12(4)10(2)9-11(3)13(15)5/h9,14H,6-8,16H2,1-5H3
InChIKeyWMEQYORXTOAZQH-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
CID 83941469
1-(3,5-dimethylphenyl)pentan-3-amine
CID 61028889
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine
CID 115120102
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
ethane;hexan-3-amine
CID 143616305
2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
CID 82129151
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 116937694
tetradecane-3,6,9,12-tetramine
CID 140993886
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine (CID 82472484) is 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine is CCC(N)CCc1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine?
The InChIKey is WMEQYORXTOAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-14(16)7-8-15-12(4)10(2)9-11(3)13(15)5/h9,14H,6-8,16H2,1-5H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine?
1-(2,3,5,6-tetramethylphenyl)pentan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)pentan-3-amine is sourced from PubChem (CID 82472484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).