12-(pentylamino)dodecanoic acid

C17H35NO2 — CID 57245176

IUPAC12-(pentylamino)dodecanoic acid
SMILESCCCCCNCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H35NO2/c1-2-3-12-15-18-16-13-10-8-6-4-5-7-9-11-14-17(19)20/h18H,2-16H2,1H3,(H,19,20)
InChIKeyHHMDPYVNMCEYCW-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.75
Rot. Bonds16

About 12-(pentylamino)dodecanoic acid

12-(pentylamino)dodecanoic acid (PubChem CID 57245176) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 12-(pentylamino)dodecanoic acid.

Molecular Properties

Compound Name12-(pentylamino)dodecanoic acid
PubChem CID57245176
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name12-(pentylamino)dodecanoic acid
SMILESCCCCCNCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H35NO2/c1-2-3-12-15-18-16-13-10-8-6-4-5-7-9-11-14-17(19)20/h18H,2-16H2,1H3,(H,19,20)
InChIKeyHHMDPYVNMCEYCW-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
N-butylbutan-1-amine;octanoic acid
CID 53326963
N-butylbutan-1-amine;decanedioic acid
CID 159923840
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
5-(butylamino)pentanoic acid;silver
CID 174567660
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 12-(pentylamino)dodecanoic acid?
The IUPAC name of 12-(pentylamino)dodecanoic acid (CID 57245176) is 12-(pentylamino)dodecanoic acid.
What is the SMILES notation for 12-(pentylamino)dodecanoic acid?
The canonical SMILES for 12-(pentylamino)dodecanoic acid is CCCCCNCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-(pentylamino)dodecanoic acid?
The InChIKey is HHMDPYVNMCEYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-2-3-12-15-18-16-13-10-8-6-4-5-7-9-11-14-17(19)20/h18H,2-16H2,1H3,(H,19,20).
What are the key properties of 12-(pentylamino)dodecanoic acid?
12-(pentylamino)dodecanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.75, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(pentylamino)dodecanoic acid is sourced from PubChem (CID 57245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).