1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one

C10H20N2O — CID 130834230

IUPAC1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CN)C1C
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-9(6-11)8(12)3/h7-9H,4-6,11H2,1-3H3
InChIKeySQLRWNJTZGWDCX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.84
Rot. Bonds2

About 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one

1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 130834230) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID130834230
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CN)C1C
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-9(6-11)8(12)3/h7-9H,4-6,11H2,1-3H3
InChIKeySQLRWNJTZGWDCX-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one (CID 130834230) is 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(CN)C1C.
What is the InChIKey of 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SQLRWNJTZGWDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-9(6-11)8(12)3/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 130834230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).