(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C13H25N3O — CID 64824655

IUPAC(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)C1CCCC1N
InChIInChI=1S/C13H25N3O/c1-15(2)9-10-5-4-8-16(10)13(17)11-6-3-7-12(11)14/h10-12H,3-9,14H2,1-2H3
InChIKeyBERSGSCQAQUNEW-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds3

About (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 64824655) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID64824655
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)C1CCCC1N
InChIInChI=1S/C13H25N3O/c1-15(2)9-10-5-4-8-16(10)13(17)11-6-3-7-12(11)14/h10-12H,3-9,14H2,1-2H3
InChIKeyBERSGSCQAQUNEW-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
CID 66265069
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119882077

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 64824655) is (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCCN1C(=O)C1CCCC1N.
What is the InChIKey of (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is BERSGSCQAQUNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)9-10-5-4-8-16(10)13(17)11-6-3-7-12(11)14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64824655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).