5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol

C12H25NO — CID 58530771

IUPAC5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-13-9-11(14)7-10(13)8-12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyKHPKWLBTMKVTGQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol

5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol (PubChem CID 58530771) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol
PubChem CID58530771
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-13-9-11(14)7-10(13)8-12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyKHPKWLBTMKVTGQ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol (CID 58530771) is 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol is CCCN1CC(O)CC1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol?
The InChIKey is KHPKWLBTMKVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-13-9-11(14)7-10(13)8-12(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol?
5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-propylpyrrolidin-3-ol is sourced from PubChem (CID 58530771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).