[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone

C13H25N3O — CID 102783695

IUPAC[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC(C)C2CN)CC1
InChIInChI=1S/C13H25N3O/c1-10-3-6-15(7-4-10)13(17)16-8-5-11(2)12(16)9-14/h10-12H,3-9,14H2,1-2H3
InChIKeyAVDIKJMSQZWKAT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.51
Rot. Bonds1

About [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone

[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 102783695) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID102783695
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC(C)C2CN)CC1
InChIInChI=1S/C13H25N3O/c1-10-3-6-15(7-4-10)13(17)16-8-5-11(2)12(16)9-14/h10-12H,3-9,14H2,1-2H3
InChIKeyAVDIKJMSQZWKAT-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102783253
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 102783565
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553
N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide
CID 102783640
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 102783695) is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCC(C)C2CN)CC1.
What is the InChIKey of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AVDIKJMSQZWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-3-6-15(7-4-10)13(17)16-8-5-11(2)12(16)9-14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102783695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).