[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

C15H27N3O — CID 119896732

IUPAC[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCN(CC1CC1)CC1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C15H27N3O/c1-17(9-12-4-5-12)10-13-6-8-18(11-13)15(19)14-3-2-7-16-14/h12-14,16H,2-11H2,1H3
InChIKeyQNMMRFYIRWVJGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds5

About [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119896732) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119896732
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCN(CC1CC1)CC1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C15H27N3O/c1-17(9-12-4-5-12)10-13-6-8-18(11-13)15(19)14-3-2-7-16-14/h12-14,16H,2-11H2,1H3
InChIKeyQNMMRFYIRWVJGL-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 64563073
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (CID 119896732) is [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is CN(CC1CC1)CC1CCN(C(=O)C2CCCN2)C1.
What is the InChIKey of [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is QNMMRFYIRWVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(9-12-4-5-12)10-13-6-8-18(11-13)15(19)14-3-2-7-16-14/h12-14,16H,2-11H2,1H3.
What are the key properties of [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 265.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119896732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).