[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone

C13H24N2O — CID 75495991

IUPAC[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-2-11-5-8-15(9-11)12(16)13(10-14)6-3-4-7-13/h11H,2-10,14H2,1H3
InChIKeyJWNYKMDADUNAHQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds3

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

[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 75495991) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID75495991
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-2-11-5-8-15(9-11)12(16)13(10-14)6-3-4-7-13/h11H,2-10,14H2,1H3
InChIKeyJWNYKMDADUNAHQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone (CID 75495991) is [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)C2(CN)CCCC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is JWNYKMDADUNAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11-5-8-15(9-11)12(16)13(10-14)6-3-4-7-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 75495991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).