5-ethyl-1-methoxy-2-methylheptan-4-amine

C11H25NO — CID 105168463

IUPAC5-ethyl-1-methoxy-2-methylheptan-4-amine
SMILESCCC(CC)C(N)CC(C)COC
InChIInChI=1S/C11H25NO/c1-5-10(6-2)11(12)7-9(3)8-13-4/h9-11H,5-8,12H2,1-4H3
InChIKeyJYWABYFOJZVKBU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds7

About 5-ethyl-1-methoxy-2-methylheptan-4-amine

5-ethyl-1-methoxy-2-methylheptan-4-amine (PubChem CID 105168463) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-ethyl-1-methoxy-2-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-1-methoxy-2-methylheptan-4-amine
PubChem CID105168463
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-ethyl-1-methoxy-2-methylheptan-4-amine
SMILESCCC(CC)C(N)CC(C)COC
InChIInChI=1S/C11H25NO/c1-5-10(6-2)11(12)7-9(3)8-13-4/h9-11H,5-8,12H2,1-4H3
InChIKeyJYWABYFOJZVKBU-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-methylnonan-4-amine
CID 115845628
1-methoxy-2,4,5-trimethylheptane
CID 177138936
3-(methoxymethyl)pentan-2-amine
CID 66437856
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
4-(methoxymethyl)-2-methylhexan-3-amine
CID 79298395
methane;1-methoxy-2-methylbutane
CID 159281556
3,4-bis(methoxymethyl)hexane
CID 142709823
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
1-methoxy-2-methyloctan-4-amine
CID 105125248
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
ethane;1-methoxy-2-methylbutane;propane
CID 143686071

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methoxy-2-methylheptan-4-amine?
The IUPAC name of 5-ethyl-1-methoxy-2-methylheptan-4-amine (CID 105168463) is 5-ethyl-1-methoxy-2-methylheptan-4-amine.
What is the SMILES notation for 5-ethyl-1-methoxy-2-methylheptan-4-amine?
The canonical SMILES for 5-ethyl-1-methoxy-2-methylheptan-4-amine is CCC(CC)C(N)CC(C)COC.
What is the InChIKey of 5-ethyl-1-methoxy-2-methylheptan-4-amine?
The InChIKey is JYWABYFOJZVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(6-2)11(12)7-9(3)8-13-4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 5-ethyl-1-methoxy-2-methylheptan-4-amine?
5-ethyl-1-methoxy-2-methylheptan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methoxy-2-methylheptan-4-amine is sourced from PubChem (CID 105168463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).