[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

C13H24N2O — CID 107180661

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C13H24N2O/c1-13(2)6-3-4-11(13)12(16)15-7-5-10(8-14)9-15/h10-11H,3-9,14H2,1-2H3
InChIKeyZXDBAACNNNHMJX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107180661) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
PubChem CID107180661
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C13H24N2O/c1-13(2)6-3-4-11(13)12(16)15-7-5-10(8-14)9-15/h10-11H,3-9,14H2,1-2H3
InChIKeyZXDBAACNNNHMJX-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
CID 107180717
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174637
[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174639
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476448
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (CID 107180661) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is ZXDBAACNNNHMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)6-3-4-11(13)12(16)15-7-5-10(8-14)9-15/h10-11H,3-9,14H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.62, 2 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]-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107180661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).