6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid

C16H32N2O2 — CID 65281759

IUPAC6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-15(2)8-7-12-18(13-10-15)11-6-5-9-16(3,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyRKRZTGPMSFKEJX-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds7

About 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid

6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid (PubChem CID 65281759) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
PubChem CID65281759
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-15(2)8-7-12-18(13-10-15)11-6-5-9-16(3,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyRKRZTGPMSFKEJX-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
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-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid (CID 65281759) is 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid is CNC(C)(CCCCN1CCCC(C)(C)CC1)C(=O)O.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid?
The InChIKey is RKRZTGPMSFKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2)8-7-12-18(13-10-15)11-6-5-9-16(3,17-4)14(19)20/h17H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid?
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid is sourced from PubChem (CID 65281759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).