2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine

C11H25NO — CID 103017418

IUPAC2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
SMILESCCC(C)(CN)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6-9,12H2,1-5H3
InChIKeyRZQDYXCQIAAYKF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds6

About 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine

2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine (PubChem CID 103017418) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
PubChem CID103017418
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
SMILESCCC(C)(CN)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6-9,12H2,1-5H3
InChIKeyRZQDYXCQIAAYKF-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
5-ethyl-2-methoxy-2-methylnonan-5-amine
CID 103017124
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
CID 165442895
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 103033017

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine?
The IUPAC name of 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine (CID 103017418) is 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine?
The canonical SMILES for 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine is CCC(C)(CN)CCC(C)(C)OC.
What is the InChIKey of 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine?
The InChIKey is RZQDYXCQIAAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6-9,12H2,1-5H3.
What are the key properties of 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine?
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 103017418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).