5-(dicyclohexylamino)pentanoic acid

C17H31NO2 — CID 28972348

IUPAC5-(dicyclohexylamino)pentanoic acid
SMILESO=C(O)CCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c19-17(20)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,19,20)
InChIKeyQGDYCAOEJKKIAX-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.21
Rot. Bonds7

About 5-(dicyclohexylamino)pentanoic acid

5-(dicyclohexylamino)pentanoic acid (PubChem CID 28972348) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-(dicyclohexylamino)pentanoic acid.

Molecular Properties

Compound Name5-(dicyclohexylamino)pentanoic acid
PubChem CID28972348
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name5-(dicyclohexylamino)pentanoic acid
SMILESO=C(O)CCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c19-17(20)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,19,20)
InChIKeyQGDYCAOEJKKIAX-UHFFFAOYSA-N
XLogP4.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dicyclohexylamino)pentanoic acid?
The IUPAC name of 5-(dicyclohexylamino)pentanoic acid (CID 28972348) is 5-(dicyclohexylamino)pentanoic acid.
What is the SMILES notation for 5-(dicyclohexylamino)pentanoic acid?
The canonical SMILES for 5-(dicyclohexylamino)pentanoic acid is O=C(O)CCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-(dicyclohexylamino)pentanoic acid?
The InChIKey is QGDYCAOEJKKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-17(20)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,19,20).
What are the key properties of 5-(dicyclohexylamino)pentanoic acid?
5-(dicyclohexylamino)pentanoic acid has a molecular weight of 281.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)pentanoic acid is sourced from PubChem (CID 28972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).