1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine

C19H33N — CID 114874478

IUPAC1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(CC)ccc1CC
InChIInChI=1S/C19H33N/c1-6-12-20-19(13-15(5)7-2)18-14-16(8-3)10-11-17(18)9-4/h10-11,14-15,19-20H,6-9,12-13H2,1-5H3
InChIKeyUSMROOCUIFDMMS-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.29
Rot. Bonds9

About 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine

1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874478) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874478
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(CC)ccc1CC
InChIInChI=1S/C19H33N/c1-6-12-20-19(13-15(5)7-2)18-14-16(8-3)10-11-17(18)9-4/h10-11,14-15,19-20H,6-9,12-13H2,1-5H3
InChIKeyUSMROOCUIFDMMS-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine (CID 114874478) is 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(CC)ccc1CC.
What is the InChIKey of 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is USMROOCUIFDMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-12-20-19(13-15(5)7-2)18-14-16(8-3)10-11-17(18)9-4/h10-11,14-15,19-20H,6-9,12-13H2,1-5H3.
What are the key properties of 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).