2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide

C15H31N3O — CID 115189024

IUPAC2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCCC(CNC)C(=O)NCC(C)(C)C1CCN(C)C1
InChIInChI=1S/C15H31N3O/c1-6-12(9-16-4)14(19)17-11-15(2,3)13-7-8-18(5)10-13/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyPKNPOMWXWKZXAB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.33
Rot. Bonds7

About 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide

2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (PubChem CID 115189024) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
PubChem CID115189024
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
SMILESCCC(CNC)C(=O)NCC(C)(C)C1CCN(C)C1
InChIInChI=1S/C15H31N3O/c1-6-12(9-16-4)14(19)17-11-15(2,3)13-7-8-18(5)10-13/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyPKNPOMWXWKZXAB-UHFFFAOYSA-N
XLogP1.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
CID 115171658
N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
CID 115188971

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide (CID 115189024) is 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is CCC(CNC)C(=O)NCC(C)(C)C1CCN(C)C1.
What is the InChIKey of 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
The InChIKey is PKNPOMWXWKZXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-12(9-16-4)14(19)17-11-15(2,3)13-7-8-18(5)10-13/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide?
2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide is sourced from PubChem (CID 115189024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).