3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one

C14H29N3O2 — CID 119896640

IUPAC3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one
SMILESCCN(CC)CCOC1CCN(C(=O)CC(C)N)C1
InChIInChI=1S/C14H29N3O2/c1-4-16(5-2)8-9-19-13-6-7-17(11-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3
InChIKeyCLVZZRFAGQFWQS-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.68
Rot. Bonds8

About 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one

3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one (PubChem CID 119896640) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one
PubChem CID119896640
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one
SMILESCCN(CC)CCOC1CCN(C(=O)CC(C)N)C1
InChIInChI=1S/C14H29N3O2/c1-4-16(5-2)8-9-19-13-6-7-17(11-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3
InChIKeyCLVZZRFAGQFWQS-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119896593
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]methanone
CID 119896610
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982915
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647544
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103532824
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63979201
3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532931
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one (CID 119896640) is 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one is CCN(CC)CCOC1CCN(C(=O)CC(C)N)C1.
What is the InChIKey of 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one?
The InChIKey is CLVZZRFAGQFWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-16(5-2)8-9-19-13-6-7-17(11-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one?
3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one has a molecular weight of 271.40 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119896640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).