3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine

C13H29NO2 — CID 116759938

IUPAC3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine
SMILESCCOC(CC)(CC)C(COC(C)C)NC
InChIInChI=1S/C13H29NO2/c1-7-13(8-2,16-9-3)12(14-6)10-15-11(4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyRDLNMGADJYSSDE-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds9

About 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine

3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine (PubChem CID 116759938) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine
PubChem CID116759938
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine
SMILESCCOC(CC)(CC)C(COC(C)C)NC
InChIInChI=1S/C13H29NO2/c1-7-13(8-2,16-9-3)12(14-6)10-15-11(4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyRDLNMGADJYSSDE-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
CID 79568715
1-cyclopentyl-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759893
3-ethoxy-3-ethyl-N-methyloct-6-yn-4-amine
CID 116760027
5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
CID 116759842
3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine
CID 116759920
3-ethoxy-3-ethylpentan-2-amine
CID 116759599
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine (CID 116759938) is 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine is CCOC(CC)(CC)C(COC(C)C)NC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine?
The InChIKey is RDLNMGADJYSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-13(8-2,16-9-3)12(14-6)10-15-11(4)5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine?
3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine is sourced from PubChem (CID 116759938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).