3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine

C17H29N — CID 63412327

IUPAC3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-5-7-15(4)13-17(18-12-6-2)16-10-8-14(3)9-11-16/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeyYUMKJSRITIUZKN-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.86
Rot. Bonds8

About 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine

3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine (PubChem CID 63412327) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
PubChem CID63412327
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-5-7-15(4)13-17(18-12-6-2)16-10-8-14(3)9-11-16/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeyYUMKJSRITIUZKN-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine (CID 63412327) is 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is YUMKJSRITIUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-15(4)13-17(18-12-6-2)16-10-8-14(3)9-11-16/h8-11,15,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine?
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 63412327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).