4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid

C13H25NO2 — CID 65289166

IUPAC4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid
SMILESC=CCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25NO2/c1-4-5-6-10-14-11-9-13(2,3)8-7-12(15)16/h4,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyGKNUYFJZWAXBHR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.82
Rot. Bonds10

About 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid

4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid (PubChem CID 65289166) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid
PubChem CID65289166
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid
SMILESC=CCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25NO2/c1-4-5-6-10-14-11-9-13(2,3)8-7-12(15)16/h4,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyGKNUYFJZWAXBHR-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
6-(3-chloroprop-2-enylamino)-4,4-dimethylhexanoic acid
CID 77064599
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
CID 114200371
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid (CID 65289166) is 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid is C=CCCCNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid?
The InChIKey is GKNUYFJZWAXBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-6-10-14-11-9-13(2,3)8-7-12(15)16/h4,14H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid?
4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid is sourced from PubChem (CID 65289166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).