3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine

C19H33N — CID 115845570

IUPAC3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-9-14(3)13-18(20-10-8-2)19-16(5)11-15(4)12-17(19)6/h11-12,14,18,20H,7-10,13H2,1-6H3
InChIKeyGVLVMLNTXTUDEG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.48
Rot. Bonds8

About 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine

3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (PubChem CID 115845570) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
PubChem CID115845570
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H33N/c1-7-9-14(3)13-18(20-10-8-2)19-16(5)11-15(4)12-17(19)6/h11-12,14,18,20H,7-10,13H2,1-6H3
InChIKeyGVLVMLNTXTUDEG-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 64651707
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
1-(2,4,6-trimethylphenyl)butylhydrazine
CID 105282251
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 115845692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine (CID 115845570) is 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is CCCNC(CC(C)CCC)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
The InChIKey is GVLVMLNTXTUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-9-14(3)13-18(20-10-8-2)19-16(5)11-15(4)12-17(19)6/h11-12,14,18,20H,7-10,13H2,1-6H3.
What are the key properties of 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine?
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine is sourced from PubChem (CID 115845570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).