8-(pyridin-4-ylmethylamino)octanoic acid

C14H22N2O2 — CID 102039807

IUPAC8-(pyridin-4-ylmethylamino)octanoic acid
SMILESO=C(O)CCCCCCCNCc1ccncc1
InChIInChI=1S/C14H22N2O2/c17-14(18)6-4-2-1-3-5-9-16-12-13-7-10-15-11-8-13/h7-8,10-11,16H,1-6,9,12H2,(H,17,18)
InChIKeyPCYBBSMTADIFLK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds10

About 8-(pyridin-4-ylmethylamino)octanoic acid

8-(pyridin-4-ylmethylamino)octanoic acid (PubChem CID 102039807) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-(pyridin-4-ylmethylamino)octanoic acid.

Molecular Properties

Compound Name8-(pyridin-4-ylmethylamino)octanoic acid
PubChem CID102039807
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name8-(pyridin-4-ylmethylamino)octanoic acid
SMILESO=C(O)CCCCCCCNCc1ccncc1
InChIInChI=1S/C14H22N2O2/c17-14(18)6-4-2-1-3-5-9-16-12-13-7-10-15-11-8-13/h7-8,10-11,16H,1-6,9,12H2,(H,17,18)
InChIKeyPCYBBSMTADIFLK-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
6-pyridin-4-ylhexanoic acid
CID 12904562
6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid
CID 82364295
6-oxo-6-(pyridin-4-ylmethylcarbamoylamino)hexanoic acid
CID 43447383
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-4-ylmethylamino)octanoic acid?
The IUPAC name of 8-(pyridin-4-ylmethylamino)octanoic acid (CID 102039807) is 8-(pyridin-4-ylmethylamino)octanoic acid.
What is the SMILES notation for 8-(pyridin-4-ylmethylamino)octanoic acid?
The canonical SMILES for 8-(pyridin-4-ylmethylamino)octanoic acid is O=C(O)CCCCCCCNCc1ccncc1.
What is the InChIKey of 8-(pyridin-4-ylmethylamino)octanoic acid?
The InChIKey is PCYBBSMTADIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-14(18)6-4-2-1-3-5-9-16-12-13-7-10-15-11-8-13/h7-8,10-11,16H,1-6,9,12H2,(H,17,18).
What are the key properties of 8-(pyridin-4-ylmethylamino)octanoic acid?
8-(pyridin-4-ylmethylamino)octanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-4-ylmethylamino)octanoic acid is sourced from PubChem (CID 102039807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).