4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid

C15H30N2O2 — CID 65282286

IUPAC4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
SMILESCCNC(C)(CCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-16-15(4,13(18)19)9-12-17-10-6-7-14(2,3)8-11-17/h16H,5-12H2,1-4H3,(H,18,19)
InChIKeyIBKQJRYRBZNVEV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds6

About 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid

4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid (PubChem CID 65282286) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
PubChem CID65282286
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
SMILESCCNC(C)(CCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-16-15(4,13(18)19)9-12-17-10-6-7-14(2,3)8-11-17/h16H,5-12H2,1-4H3,(H,18,19)
InChIKeyIBKQJRYRBZNVEV-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

5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid (CID 65282286) is 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid is CCNC(C)(CCN1CCCC(C)(C)CC1)C(=O)O.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid?
The InChIKey is IBKQJRYRBZNVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16-15(4,13(18)19)9-12-17-10-6-7-14(2,3)8-11-17/h16H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid?
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic 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 4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 65282286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).