4,4-dimethyl-6-(nonylamino)hexanoic acid

C17H35NO2 — CID 65287173

IUPAC4,4-dimethyl-6-(nonylamino)hexanoic acid
SMILESCCCCCCCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-14-18-15-13-17(2,3)12-11-16(19)20/h18H,4-15H2,1-3H3,(H,19,20)
InChIKeyFIZDNJMZIUJMER-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.61
Rot. Bonds14

About 4,4-dimethyl-6-(nonylamino)hexanoic acid

4,4-dimethyl-6-(nonylamino)hexanoic acid (PubChem CID 65287173) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 4,4-dimethyl-6-(nonylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(nonylamino)hexanoic acid
PubChem CID65287173
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name4,4-dimethyl-6-(nonylamino)hexanoic acid
SMILESCCCCCCCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-14-18-15-13-17(2,3)12-11-16(19)20/h18H,4-15H2,1-3H3,(H,19,20)
InChIKeyFIZDNJMZIUJMER-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.61
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-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
12-(pentylamino)dodecanoic acid
CID 57245176
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(nonylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(nonylamino)hexanoic acid (CID 65287173) is 4,4-dimethyl-6-(nonylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(nonylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(nonylamino)hexanoic acid is CCCCCCCCCNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(nonylamino)hexanoic acid?
The InChIKey is FIZDNJMZIUJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-14-18-15-13-17(2,3)12-11-16(19)20/h18H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 4,4-dimethyl-6-(nonylamino)hexanoic acid?
4,4-dimethyl-6-(nonylamino)hexanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.61, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(nonylamino)hexanoic acid is sourced from PubChem (CID 65287173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).