4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide

C15H29N3O2 — CID 119483572

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCC(CN)C1
InChIInChI=1S/C15H29N3O2/c1-3-8-17(9-4-2)14(19)5-6-15(20)18-10-7-13(11-16)12-18/h13H,3-12,16H2,1-2H3
InChIKeyLJZNRROZSCAOIF-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.22
Rot. Bonds8

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide

4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide (PubChem CID 119483572) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
PubChem CID119483572
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCC(CN)C1
InChIInChI=1S/C15H29N3O2/c1-3-8-17(9-4-2)14(19)5-6-15(20)18-10-7-13(11-16)12-18/h13H,3-12,16H2,1-2H3
InChIKeyLJZNRROZSCAOIF-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 119484079
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119487968
4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119466435
1-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 120806329
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide (CID 119483572) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCC(=O)N1CCC(CN)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The InChIKey is LJZNRROZSCAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-8-17(9-4-2)14(19)5-6-15(20)18-10-7-13(11-16)12-18/h13H,3-12,16H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide has a molecular weight of 283.42 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide is sourced from PubChem (CID 119483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).