1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol

C11H24N2O — CID 117017918

IUPAC1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
SMILESCN(C)CCCN1CC(O)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)8-10(14)9-13(11)7-5-6-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyGHPFMMQKRWJYNO-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol

1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol (PubChem CID 117017918) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
PubChem CID117017918
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
SMILESCN(C)CCCN1CC(O)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)8-10(14)9-13(11)7-5-6-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyGHPFMMQKRWJYNO-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-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol (CID 117017918) is 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol is CN(C)CCCN1CC(O)CC1(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol?
The InChIKey is GHPFMMQKRWJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)8-10(14)9-13(11)7-5-6-12(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol?
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-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-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117017918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).