1-(2,4,6-trimethylphenyl)heptan-4-amine

C16H27N — CID 64502731

IUPAC1-(2,4,6-trimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-5-7-15(17)8-6-9-16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3
InChIKeyOTXSARVATKADBH-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.06
Rot. Bonds6

About 1-(2,4,6-trimethylphenyl)heptan-4-amine

1-(2,4,6-trimethylphenyl)heptan-4-amine (PubChem CID 64502731) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)heptan-4-amine
PubChem CID64502731
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,4,6-trimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-5-7-15(17)8-6-9-16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3
InChIKeyOTXSARVATKADBH-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
2-butyl-1,3,5-trimethylbenzene
CID 527298
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-4-amine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-4-amine (CID 64502731) is 1-(2,4,6-trimethylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)heptan-4-amine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)heptan-4-amine is CCCC(N)CCCc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)heptan-4-amine?
The InChIKey is OTXSARVATKADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-15(17)8-6-9-16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)heptan-4-amine?
1-(2,4,6-trimethylphenyl)heptan-4-amine has a molecular weight of 233.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)heptan-4-amine is sourced from PubChem (CID 64502731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).