5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

C14H28ClN3O2 — CID 120806330

IUPAC5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-8-16-12(18)5-4-6-13(19)17-9-7-14(2,10-15)11-17;/h3-11,15H2,1-2H3,(H,16,18);1H
InChIKeyIOJKTCYRNQFQKK-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.30
Rot. Bonds7

About 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (PubChem CID 120806330) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
PubChem CID120806330
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-8-16-12(18)5-4-6-13(19)17-9-7-14(2,10-15)11-17;/h3-11,15H2,1-2H3,(H,16,18);1H
InChIKeyIOJKTCYRNQFQKK-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3-methylbutanamide;hydrochloride
CID 120807356
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120807357
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea;hydrochloride
CID 120804646
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 120810145
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butoxyethanone;hydrochloride
CID 120807504
5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119412942
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 120806329
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide;hydrochloride
CID 120807706
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methylhexan-1-one;hydrochloride
CID 120803884
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120809078

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (CID 120806330) is 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.
What is the SMILES notation for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The canonical SMILES for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is CCCNC(=O)CCCC(=O)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The InChIKey is IOJKTCYRNQFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-8-16-12(18)5-4-6-13(19)17-9-7-14(2,10-15)11-17;/h3-11,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is sourced from PubChem (CID 120806330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).