1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine

C19H33N — CID 43496397

IUPAC1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCCc1ccc(C(CCC(C)C)NCCC)cc1
InChIInChI=1S/C19H33N/c1-5-7-8-17-10-12-18(13-11-17)19(20-15-6-2)14-9-16(3)4/h10-13,16,19-20H,5-9,14-15H2,1-4H3
InChIKeyYMEFHNBKLOLMJY-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.51
Rot. Bonds10

About 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine

1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 43496397) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID43496397
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCCc1ccc(C(CCC(C)C)NCCC)cc1
InChIInChI=1S/C19H33N/c1-5-7-8-17-10-12-18(13-11-17)19(20-15-6-2)14-9-16(3)4/h10-13,16,19-20H,5-9,14-15H2,1-4H3
InChIKeyYMEFHNBKLOLMJY-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
1-(1-bromo-4-methylpentyl)-4-butylbenzene
CID 55199914
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine (CID 43496397) is 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine is CCCCc1ccc(C(CCC(C)C)NCCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is YMEFHNBKLOLMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-7-8-17-10-12-18(13-11-17)19(20-15-6-2)14-9-16(3)4/h10-13,16,19-20H,5-9,14-15H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine?
1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43496397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).