[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride

C20H31ClN2O — CID 119486719

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(C)c1ccc(C2(C(=O)N3CCC(CN)C3)CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15(2)17-5-7-18(8-6-17)20(10-3-4-11-20)19(23)22-12-9-16(13-21)14-22;/h5-8,15-16H,3-4,9-14,21H2,1-2H3;1H
InChIKeyOGBZNKACWOGWQG-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.85
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride (PubChem CID 119486719) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
PubChem CID119486719
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(C)c1ccc(C2(C(=O)N3CCC(CN)C3)CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15(2)17-5-7-18(8-6-17)20(10-3-4-11-20)19(23)22-12-9-16(13-21)14-22;/h5-8,15-16H,3-4,9-14,21H2,1-2H3;1H
InChIKeyOGBZNKACWOGWQG-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride with MolForge

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Related Compounds

(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 75495859
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride (CID 119486719) is [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride is CC(C)c1ccc(C2(C(=O)N3CCC(CN)C3)CCCC2)cc1.Cl.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The InChIKey is OGBZNKACWOGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-15(2)17-5-7-18(8-6-17)20(10-3-4-11-20)19(23)22-12-9-16(13-21)14-22;/h5-8,15-16H,3-4,9-14,21H2,1-2H3;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride is sourced from PubChem (CID 119486719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).