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

C16H24N2O — CID 115275670

IUPAC(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)CC2(C)C)c(C)c1C
InChIInChI=1S/C16H24N2O/c1-10-6-7-14(12(3)11(10)2)15(19)18-9-13(17)8-16(18,4)5/h6-7,13H,8-9,17H2,1-5H3
InChIKeyZMJUZMWDNGMGLT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.56
Rot. Bonds1

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

(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone (PubChem CID 115275670) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
PubChem CID115275670
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)CC2(C)C)c(C)c1C
InChIInChI=1S/C16H24N2O/c1-10-6-7-14(12(3)11(10)2)15(19)18-9-13(17)8-16(18,4)5/h6-7,13H,8-9,17H2,1-5H3
InChIKeyZMJUZMWDNGMGLT-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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Related Compounds

(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 115276339
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276129
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128
(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115276130
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275398
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
(2,4-difluorophenyl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115275985
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(2-bromophenyl)butan-1-one
CID 115275754
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone?
The IUPAC name of (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone (CID 115275670) is (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone.
What is the SMILES notation for (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone?
The canonical SMILES for (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone is Cc1ccc(C(=O)N2CC(N)CC2(C)C)c(C)c1C.
What is the InChIKey of (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone?
The InChIKey is ZMJUZMWDNGMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-6-7-14(12(3)11(10)2)15(19)18-9-13(17)8-16(18,4)5/h6-7,13H,8-9,17H2,1-5H3.
What are the key properties of (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone?
(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-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 (4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone is sourced from PubChem (CID 115275670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).