5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride

C14H28ClN3O2 — CID 119484079

IUPAC5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-16(4-2)13(18)6-5-7-14(19)17-9-8-12(10-15)11-17;/h12H,3-11,15H2,1-2H3;1H
InChIKeyJXXQPNCSSMQJOR-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.25
Rot. Bonds7

About 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride

5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride (PubChem CID 119484079) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
PubChem CID119484079
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-16(4-2)13(18)6-5-7-14(19)17-9-8-12(10-15)11-17;/h12H,3-11,15H2,1-2H3;1H
InChIKeyJXXQPNCSSMQJOR-UHFFFAOYSA-N
XLogP1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride 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

4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119483572
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 119355055
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
1-[3-(aminomethyl)pyrrolidin-1-yl]-5-(4-tert-butylphenyl)pentan-1-one;hydrochloride
CID 119484639
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N,N-diethyl-5-oxopentanamide
CID 120659532
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride (CID 119484079) is 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride is CCN(CC)C(=O)CCCC(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The InChIKey is JXXQPNCSSMQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-16(4-2)13(18)6-5-7-14(19)17-9-8-12(10-15)11-17;/h12H,3-11,15H2,1-2H3;1H.
What are the key properties of 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 119484079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).