5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one

C13H26N2O — CID 115236802

IUPAC5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
SMILESCC(=O)CCCN(C)CCC1CCN(C)C1
InChIInChI=1S/C13H26N2O/c1-12(16)5-4-8-14(2)9-6-13-7-10-15(3)11-13/h13H,4-11H2,1-3H3
InChIKeySBTAXHIZNFIJCJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds7

About 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one

5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one (PubChem CID 115236802) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one.

Molecular Properties

Compound Name5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
PubChem CID115236802
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
SMILESCC(=O)CCCN(C)CCC1CCN(C)C1
InChIInChI=1S/C13H26N2O/c1-12(16)5-4-8-14(2)9-6-13-7-10-15(3)11-13/h13H,4-11H2,1-3H3
InChIKeySBTAXHIZNFIJCJ-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
ethane;2-methylbut-2-ene;N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butan-1-amine
CID 142068127
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
CID 116845186
3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one?
The IUPAC name of 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one (CID 115236802) is 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one.
What is the SMILES notation for 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one?
The canonical SMILES for 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one is CC(=O)CCCN(C)CCC1CCN(C)C1.
What is the InChIKey of 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one?
The InChIKey is SBTAXHIZNFIJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(16)5-4-8-14(2)9-6-13-7-10-15(3)11-13/h13H,4-11H2,1-3H3.
What are the key properties of 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one?
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one has a molecular weight of 226.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one is sourced from PubChem (CID 115236802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).