2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid

C16H32N2O3 — CID 63711791

IUPAC2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
SMILESCCNC(C)(CCCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyMIJHDRAWGVGQAZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.97
Rot. Bonds10

About 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid

2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid (PubChem CID 63711791) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
PubChem CID63711791
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
SMILESCCNC(C)(CCCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyMIJHDRAWGVGQAZ-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-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
CID 62861901
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid (CID 63711791) is 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid is CCNC(C)(CCCCN(C)CC1CCOCC1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid?
The InChIKey is MIJHDRAWGVGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-17-16(2,15(19)20)9-5-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid?
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic 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)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid is sourced from PubChem (CID 63711791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).