5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid

C16H32N2O2 — CID 65281659

IUPAC5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-17-16(4,14(19)20)9-7-12-18-11-6-8-15(2,3)10-13-18/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyKIXGOAUKVLWKPP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds7

About 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid

5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 65281659) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
PubChem CID65281659
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-17-16(4,14(19)20)9-7-12-18-11-6-8-15(2,3)10-13-18/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeyKIXGOAUKVLWKPP-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

Analyze 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid (CID 65281659) is 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CCCN1CCCC(C)(C)CC1)C(=O)O.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is KIXGOAUKVLWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-17-16(4,14(19)20)9-7-12-18-11-6-8-15(2,3)10-13-18/h17H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic 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 5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 65281659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).