[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone

C19H28N2O2 — CID 120807295

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1cccc(C2(C(=O)N3CCC(C)(CN)C3)CCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-18(13-20)10-11-21(14-18)17(22)19(8-3-4-9-19)15-6-5-7-16(12-15)23-2/h5-7,12H,3-4,8-11,13-14,20H2,1-2H3
InChIKeyMXEDZNJRQPRDSJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.70
Rot. Bonds4

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone (PubChem CID 120807295) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
PubChem CID120807295
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1cccc(C2(C(=O)N3CCC(C)(CN)C3)CCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-18(13-20)10-11-21(14-18)17(22)19(8-3-4-9-19)15-6-5-7-16(12-15)23-2/h5-7,12H,3-4,8-11,13-14,20H2,1-2H3
InChIKeyMXEDZNJRQPRDSJ-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclohexyl]methanone
CID 120804905
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 120803979
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone
CID 120807621
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
CID 120810169
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone (CID 120807295) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone is COc1cccc(C2(C(=O)N3CCC(C)(CN)C3)CCCC2)c1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is MXEDZNJRQPRDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(13-20)10-11-21(14-18)17(22)19(8-3-4-9-19)15-6-5-7-16(12-15)23-2/h5-7,12H,3-4,8-11,13-14,20H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 120807295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).