2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid

C16H32N2O3 — CID 106588684

IUPAC2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
SMILESCCNC(C)(CCCCN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18-11-7-8-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyYHSYWCZSMDWLKQ-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.97
Rot. Bonds10

About 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid

2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid (PubChem CID 106588684) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
PubChem CID106588684
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
SMILESCCNC(C)(CCCCN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18-11-7-8-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyYHSYWCZSMDWLKQ-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The IUPAC name of 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid (CID 106588684) is 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid.
What is the SMILES notation for 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The canonical SMILES for 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid is CCNC(C)(CCCCN1CCCC(COC)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The InChIKey is YHSYWCZSMDWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18-11-7-8-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid has a molecular weight of 300.44 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid is sourced from PubChem (CID 106588684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).