N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine

C10H23NO2 — CID 103028533

IUPACN-ethyl-1,4-dimethoxy-4-methylpentan-2-amine
SMILESCCNC(COC)CC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-6-11-9(8-12-4)7-10(2,3)13-5/h9,11H,6-8H2,1-5H3
InChIKeyRHIMLDKTHITTKB-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds7

About N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine

N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine (PubChem CID 103028533) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,4-dimethoxy-4-methylpentan-2-amine
PubChem CID103028533
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-ethyl-1,4-dimethoxy-4-methylpentan-2-amine
SMILESCCNC(COC)CC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-6-11-9(8-12-4)7-10(2,3)13-5/h9,11H,6-8H2,1-5H3
InChIKeyRHIMLDKTHITTKB-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine (CID 103028533) is N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine is CCNC(COC)CC(C)(C)OC.
What is the InChIKey of N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine?
The InChIKey is RHIMLDKTHITTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-11-9(8-12-4)7-10(2,3)13-5/h9,11H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine?
N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103028533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).