4-(4-butylphenyl)pentan-1-amine

C15H25N — CID 82286120

IUPAC4-(4-butylphenyl)pentan-1-amine
SMILESCCCCc1ccc(C(C)CCCN)cc1
InChIInChI=1S/C15H25N/c1-3-4-7-14-8-10-15(11-9-14)13(2)6-5-12-16/h8-11,13H,3-7,12,16H2,1-2H3
InChIKeyQOKZLQSQWUUBDE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.87
Rot. Bonds7

About 4-(4-butylphenyl)pentan-1-amine

4-(4-butylphenyl)pentan-1-amine (PubChem CID 82286120) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(4-butylphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-butylphenyl)pentan-1-amine
PubChem CID82286120
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(4-butylphenyl)pentan-1-amine
SMILESCCCCc1ccc(C(C)CCCN)cc1
InChIInChI=1S/C15H25N/c1-3-4-7-14-8-10-15(11-9-14)13(2)6-5-12-16/h8-11,13H,3-7,12,16H2,1-2H3
InChIKeyQOKZLQSQWUUBDE-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-octan-2-ylphenol;4-octylphenol
CID 157081049
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
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
4-(4-propylphenyl)heptan-1-amine
CID 83921500
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
4-(4-ethenylphenyl)pentan-1-amine
CID 156902125
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
2-(4-butylphenyl)propane-1-sulfonyl chloride
CID 112519919
bis(4-butylphenyl)methylphosphane
CID 90110025

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)pentan-1-amine?
The IUPAC name of 4-(4-butylphenyl)pentan-1-amine (CID 82286120) is 4-(4-butylphenyl)pentan-1-amine.
What is the SMILES notation for 4-(4-butylphenyl)pentan-1-amine?
The canonical SMILES for 4-(4-butylphenyl)pentan-1-amine is CCCCc1ccc(C(C)CCCN)cc1.
What is the InChIKey of 4-(4-butylphenyl)pentan-1-amine?
The InChIKey is QOKZLQSQWUUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-7-14-8-10-15(11-9-14)13(2)6-5-12-16/h8-11,13H,3-7,12,16H2,1-2H3.
What are the key properties of 4-(4-butylphenyl)pentan-1-amine?
4-(4-butylphenyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)pentan-1-amine is sourced from PubChem (CID 82286120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).