3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine

C13H30N2O — CID 115000912

IUPAC3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCN(CC)CCOC(C)CCNC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(7-2)10-11-16-13(5)8-9-14-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyVDLCHQJLZGZROF-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine

3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 115000912) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
PubChem CID115000912
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCN(CC)CCOC(C)CCNC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(7-2)10-11-16-13(5)8-9-14-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyVDLCHQJLZGZROF-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine (CID 115000912) is 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine is CCN(CC)CCOC(C)CCNC(C)C.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is VDLCHQJLZGZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-15(7-2)10-11-16-13(5)8-9-14-12(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115000912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).