N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide

C13H27N3O — CID 158561695

IUPACN-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CCC(N(C)C(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10(2)14(5)12-7-8-16(9-12)13(17)15(6)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyGDQQWOMOVYMRBD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide

N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 158561695) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID158561695
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CCC(N(C)C(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10(2)14(5)12-7-8-16(9-12)13(17)15(6)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyGDQQWOMOVYMRBD-UHFFFAOYSA-N
XLogP1.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 158561695) is N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)N(C)C(=O)N1CCC(N(C)C(C)C)C1.
What is the InChIKey of N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is GDQQWOMOVYMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)14(5)12-7-8-16(9-12)13(17)15(6)11(3)4/h10-12H,7-9H2,1-6H3.
What are the key properties of N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 158561695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).