1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

C11H24N2O — CID 62888119

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCN(C)CC1CCCN1CC(C)(C)O
InChIInChI=1S/C11H24N2O/c1-11(2,14)9-13-7-5-6-10(13)8-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyGODBHWHQADDGAK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 62888119) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID62888119
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCN(C)CC1CCCN1CC(C)(C)O
InChIInChI=1S/C11H24N2O/c1-11(2,14)9-13-7-5-6-10(13)8-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyGODBHWHQADDGAK-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (CID 62888119) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is CN(C)CC1CCCN1CC(C)(C)O.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is GODBHWHQADDGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14)9-13-7-5-6-10(13)8-12(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 62888119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).