5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C15H30N2O2 — CID 65281849

IUPAC5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-14(2)7-5-10-17(12-9-14)11-6-8-15(3,16-4)13(18)19/h16H,5-12H2,1-4H3,(H,18,19)
InChIKeyFLHKGXZZIQSEJJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds6

About 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid

5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 65281849) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID65281849
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-14(2)7-5-10-17(12-9-14)11-6-8-15(3,16-4)13(18)19/h16H,5-12H2,1-4H3,(H,18,19)
InChIKeyFLHKGXZZIQSEJJ-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
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
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
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 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 65281849) is 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is FLHKGXZZIQSEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2)7-5-10-17(12-9-14)11-6-8-15(3,16-4)13(18)19/h16H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 65281849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).