N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine

C11H25NO — CID 166870401

IUPACN,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
SMILESCCC[C@@H](OCCN(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-11(10(2)3)13-9-8-12(4)5/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyPYPKMMFXZCZVKD-LLVKDONJSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds7

About N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine

N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine (PubChem CID 166870401) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
PubChem CID166870401
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
SMILESCCC[C@@H](OCCN(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-11(10(2)3)13-9-8-12(4)5/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyPYPKMMFXZCZVKD-LLVKDONJSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-2,2-dimethylhexan-3-yl]oxy-N,N-dimethylethanamine
CID 166870396
2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
CID 62458457
3-methoxy-2-methylhexane
CID 23384964
(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
CID 89424025
2-[ethoxy(methoxy)methoxy]-N,N-dimethylethanamine
CID 123705763
2-[2-(dimethylamino)ethoxy]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 21296896
2-methyl-3-methylperoxyhexane
CID 89198281
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
CID 174884857
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine (CID 166870401) is N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine is CCC[C@@H](OCCN(C)C)C(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine?
The InChIKey is PYPKMMFXZCZVKD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-11(10(2)3)13-9-8-12(4)5/h10-11H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine?
N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine is sourced from PubChem (CID 166870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).