1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine

C17H29N — CID 63417237

IUPAC1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-9-18-17(8-7-13(2)3)16-11-14(4)10-15(5)12-16/h10-13,17-18H,6-9H2,1-5H3
InChIKeyHTXSWPYJTUNUKA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine

1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 63417237) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID63417237
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-9-18-17(8-7-13(2)3)16-11-14(4)10-15(5)12-16/h10-13,17-18H,6-9H2,1-5H3
InChIKeyHTXSWPYJTUNUKA-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
N-[1-(3,5-dimethylphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760593
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine (CID 63417237) is 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is HTXSWPYJTUNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-9-18-17(8-7-13(2)3)16-11-14(4)10-15(5)12-16/h10-13,17-18H,6-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine?
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 63417237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).