4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one

C13H25N3O2 — CID 62063781

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
SMILESNCC1CCN(CCCC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c14-10-12-3-5-15(11-12)4-1-2-13(17)16-6-8-18-9-7-16/h12H,1-11,14H2
InChIKeyGUYQEKJBTDJYNN-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.09
Rot. Bonds5

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one

4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one (PubChem CID 62063781) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
PubChem CID62063781
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
SMILESNCC1CCN(CCCC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c14-10-12-3-5-15(11-12)4-1-2-13(17)16-6-8-18-9-7-16/h12H,1-11,14H2
InChIKeyGUYQEKJBTDJYNN-UHFFFAOYSA-N
XLogP-0.09
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-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-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
CID 167480070
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
CID 102682178
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
2-amino-4-(4-morpholin-4-yl-4-oxobutyl)sulfanylbutanoic acid
CID 54933104

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one (CID 62063781) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one is NCC1CCN(CCCC(=O)N2CCOCC2)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The InChIKey is GUYQEKJBTDJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-10-12-3-5-15(11-12)4-1-2-13(17)16-6-8-18-9-7-16/h12H,1-11,14H2.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 62063781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).