1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one

C13H24N2O — CID 162779519

IUPAC1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CN(C)CC1NC1CC1
InChIInChI=1S/C13H24N2O/c1-9(2)13(16)6-10-7-15(3)8-12(10)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyMACYISZYRCSWFT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.28
Rot. Bonds5

About 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one

1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one (PubChem CID 162779519) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one
PubChem CID162779519
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CN(C)CC1NC1CC1
InChIInChI=1S/C13H24N2O/c1-9(2)13(16)6-10-7-15(3)8-12(10)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyMACYISZYRCSWFT-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one (CID 162779519) is 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one is CC(C)C(=O)CC1CN(C)CC1NC1CC1.
What is the InChIKey of 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one?
The InChIKey is MACYISZYRCSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)13(16)6-10-7-15(3)8-12(10)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one?
1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-1-methylpyrrolidin-3-yl]-3-methylbutan-2-one is sourced from PubChem (CID 162779519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).