2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one

C9H18N2O — CID 116915429

IUPAC2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(C(=O)C(C)(C)N)C1
InChIInChI=1S/C9H18N2O/c1-9(2,10)8(12)7-4-5-11(3)6-7/h7H,4-6,10H2,1-3H3
InChIKeyFHRRGJBAGQDKST-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.24
Rot. Bonds2

About 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one

2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 116915429) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
PubChem CID116915429
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(C(=O)C(C)(C)N)C1
InChIInChI=1S/C9H18N2O/c1-9(2,10)8(12)7-4-5-11(3)6-7/h7H,4-6,10H2,1-3H3
InChIKeyFHRRGJBAGQDKST-UHFFFAOYSA-N
XLogP0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one (CID 116915429) is 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one is CN1CCC(C(=O)C(C)(C)N)C1.
What is the InChIKey of 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is FHRRGJBAGQDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,10)8(12)7-4-5-11(3)6-7/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 116915429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).