2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride

C18H28ClN3O — CID 120772746

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NC2(c3ccccc3)CCC2)C1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-17(13-19)10-11-21(14-17)12-16(22)20-18(8-5-9-18)15-6-3-2-4-7-15;/h2-4,6-7H,5,8-14,19H2,1H3,(H,20,22);1H
InChIKeyWMIDUYZYPSTPQX-UHFFFAOYSA-N
MW337.89 g/mol
LogP2.27
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride (PubChem CID 120772746) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
PubChem CID120772746
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NC2(c3ccccc3)CCC2)C1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-17(13-19)10-11-21(14-17)12-16(22)20-18(8-5-9-18)15-6-3-2-4-7-15;/h2-4,6-7H,5,8-14,19H2,1H3,(H,20,22);1H
InChIKeyWMIDUYZYPSTPQX-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
CID 119907979
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[cyclohexyl(phenyl)methyl]acetamide;hydrochloride
CID 120773094
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120772368
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride (CID 120772746) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride is CC1(CN)CCN(CC(=O)NC2(c3ccccc3)CCC2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride?
The InChIKey is WMIDUYZYPSTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-17(13-19)10-11-21(14-17)12-16(22)20-18(8-5-9-18)15-6-3-2-4-7-15;/h2-4,6-7H,5,8-14,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride is sourced from PubChem (CID 120772746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).