6-(decylamino)-4,4-dimethylhexanoic acid

C18H37NO2 — CID 65289065

IUPAC6-(decylamino)-4,4-dimethylhexanoic acid
SMILESCCCCCCCCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-15-19-16-14-18(2,3)13-12-17(20)21/h19H,4-16H2,1-3H3,(H,20,21)
InChIKeyHDYSEMWXRDTNMT-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.00
Rot. Bonds15

About 6-(decylamino)-4,4-dimethylhexanoic acid

6-(decylamino)-4,4-dimethylhexanoic acid (PubChem CID 65289065) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 6-(decylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(decylamino)-4,4-dimethylhexanoic acid
PubChem CID65289065
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name6-(decylamino)-4,4-dimethylhexanoic acid
SMILESCCCCCCCCCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-15-19-16-14-18(2,3)13-12-17(20)21/h19H,4-16H2,1-3H3,(H,20,21)
InChIKeyHDYSEMWXRDTNMT-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 55.00
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

4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
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
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 6-(decylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(decylamino)-4,4-dimethylhexanoic acid (CID 65289065) is 6-(decylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(decylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(decylamino)-4,4-dimethylhexanoic acid is CCCCCCCCCCNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-(decylamino)-4,4-dimethylhexanoic acid?
The InChIKey is HDYSEMWXRDTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-15-19-16-14-18(2,3)13-12-17(20)21/h19H,4-16H2,1-3H3,(H,20,21).
What are the key properties of 6-(decylamino)-4,4-dimethylhexanoic acid?
6-(decylamino)-4,4-dimethylhexanoic acid has a molecular weight of 299.50 g/mol, XLogP of 5.00, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(decylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).