1-(3-aminophenyl)undecan-1-one

C17H27NO — CID 116548557

IUPAC1-(3-aminophenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cccc(N)c1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14H,2-9,13,18H2,1H3
InChIKeyPDUWPONQFDHRNR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.98
Rot. Bonds10

About 1-(3-aminophenyl)undecan-1-one

1-(3-aminophenyl)undecan-1-one (PubChem CID 116548557) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)undecan-1-one.

Molecular Properties

Compound Name1-(3-aminophenyl)undecan-1-one
PubChem CID116548557
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-aminophenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cccc(N)c1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14H,2-9,13,18H2,1H3
InChIKeyPDUWPONQFDHRNR-UHFFFAOYSA-N
XLogP4.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-acetylphenyl)nonan-1-one
CID 159969230
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(3-ethylphenyl)octan-1-one
CID 115788827
1-(3-propylphenyl)heptan-1-one
CID 115812204
1-phenylheptadecan-1-one
CID 577626
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
tetradecyl 3-aminobenzoate
CID 139931873
19-[3-[10-(3-nonanoylphenyl)-10-oxodecanoyl]phenyl]-10,19-dioxononadecanoic acid
CID 160612211
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1-(3-amino-5-bromophenyl)decan-1-one
CID 116597038
4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)undecan-1-one?
The IUPAC name of 1-(3-aminophenyl)undecan-1-one (CID 116548557) is 1-(3-aminophenyl)undecan-1-one.
What is the SMILES notation for 1-(3-aminophenyl)undecan-1-one?
The canonical SMILES for 1-(3-aminophenyl)undecan-1-one is CCCCCCCCCCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)undecan-1-one?
The InChIKey is PDUWPONQFDHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14H,2-9,13,18H2,1H3.
What are the key properties of 1-(3-aminophenyl)undecan-1-one?
1-(3-aminophenyl)undecan-1-one has a molecular weight of 261.41 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)undecan-1-one is sourced from PubChem (CID 116548557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).