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

C11H25NO — CID 103028579

IUPAC5-ethyl-2-methoxy-2-methylheptan-4-amine
SMILESCCC(CC)C(N)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-9(7-2)10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyQUAFKNNFOVINDG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds6

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

5-ethyl-2-methoxy-2-methylheptan-4-amine (PubChem CID 103028579) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-2-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methoxy-2-methylheptan-4-amine
PubChem CID103028579
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-ethyl-2-methoxy-2-methylheptan-4-amine
SMILESCCC(CC)C(N)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-9(7-2)10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyQUAFKNNFOVINDG-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-2-methylheptan-4-amine?
The IUPAC name of 5-ethyl-2-methoxy-2-methylheptan-4-amine (CID 103028579) is 5-ethyl-2-methoxy-2-methylheptan-4-amine.
What is the SMILES notation for 5-ethyl-2-methoxy-2-methylheptan-4-amine?
The canonical SMILES for 5-ethyl-2-methoxy-2-methylheptan-4-amine is CCC(CC)C(N)CC(C)(C)OC.
What is the InChIKey of 5-ethyl-2-methoxy-2-methylheptan-4-amine?
The InChIKey is QUAFKNNFOVINDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9(7-2)10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 5-ethyl-2-methoxy-2-methylheptan-4-amine?
5-ethyl-2-methoxy-2-methylheptan-4-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 5-ethyl-2-methoxy-2-methylheptan-4-amine is sourced from PubChem (CID 103028579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).