5-[3-(3-aminopropyl)phenyl]hexanamide

C15H24N2O — CID 91188909

IUPAC5-[3-(3-aminopropyl)phenyl]hexanamide
SMILESCC(CCCC(N)=O)c1cccc(CCCN)c1
InChIInChI=1S/C15H24N2O/c1-12(5-2-9-15(17)18)14-8-3-6-13(11-14)7-4-10-16/h3,6,8,11-12H,2,4-5,7,9-10,16H2,1H3,(H2,17,18)
InChIKeyMCXCJYGNUXBUMT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds8

About 5-[3-(3-aminopropyl)phenyl]hexanamide

5-[3-(3-aminopropyl)phenyl]hexanamide (PubChem CID 91188909) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[3-(3-aminopropyl)phenyl]hexanamide.

Molecular Properties

Compound Name5-[3-(3-aminopropyl)phenyl]hexanamide
PubChem CID91188909
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[3-(3-aminopropyl)phenyl]hexanamide
SMILESCC(CCCC(N)=O)c1cccc(CCCN)c1
InChIInChI=1S/C15H24N2O/c1-12(5-2-9-15(17)18)14-8-3-6-13(11-14)7-4-10-16/h3,6,8,11-12H,2,4-5,7,9-10,16H2,1H3,(H2,17,18)
InChIKeyMCXCJYGNUXBUMT-UHFFFAOYSA-N
XLogP2.34
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hexylphenyl)butan-1-amine
CID 130373287
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
1-decan-2-yl-3-octylbenzene
CID 173491759
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
CID 142098297
1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 84736382
4-(3-tert-butylphenyl)pentan-1-amine
CID 66582210
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
5-(3-ethylphenyl)hexane-1,1-diol
CID 142091114
3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
CID 91318489
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
CID 66743271

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminopropyl)phenyl]hexanamide?
The IUPAC name of 5-[3-(3-aminopropyl)phenyl]hexanamide (CID 91188909) is 5-[3-(3-aminopropyl)phenyl]hexanamide.
What is the SMILES notation for 5-[3-(3-aminopropyl)phenyl]hexanamide?
The canonical SMILES for 5-[3-(3-aminopropyl)phenyl]hexanamide is CC(CCCC(N)=O)c1cccc(CCCN)c1.
What is the InChIKey of 5-[3-(3-aminopropyl)phenyl]hexanamide?
The InChIKey is MCXCJYGNUXBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(5-2-9-15(17)18)14-8-3-6-13(11-14)7-4-10-16/h3,6,8,11-12H,2,4-5,7,9-10,16H2,1H3,(H2,17,18).
What are the key properties of 5-[3-(3-aminopropyl)phenyl]hexanamide?
5-[3-(3-aminopropyl)phenyl]hexanamide has a molecular weight of 248.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminopropyl)phenyl]hexanamide is sourced from PubChem (CID 91188909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).