(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone

C16H24N2O — CID 115275240

IUPAC(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(N)C2(C)C)c(C)c1
InChIInChI=1S/C16H24N2O/c1-10-8-11(2)14(12(3)9-10)15(19)18-7-6-13(17)16(18,4)5/h8-9,13H,6-7,17H2,1-5H3
InChIKeyXVWRIJZQVDTMKX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.56
Rot. Bonds1

About (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone

(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 115275240) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID115275240
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(N)C2(C)C)c(C)c1
InChIInChI=1S/C16H24N2O/c1-10-8-11(2)14(12(3)9-10)15(19)18-7-6-13(17)16(18,4)5/h8-9,13H,6-7,17H2,1-5H3
InChIKeyXVWRIJZQVDTMKX-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone (CID 115275240) is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CCC(N)C2(C)C)c(C)c1.
What is the InChIKey of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is XVWRIJZQVDTMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-8-11(2)14(12(3)9-10)15(19)18-7-6-13(17)16(18,4)5/h8-9,13H,6-7,17H2,1-5H3.
What are the key properties of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone?
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 115275240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).