1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol

C14H29NO — CID 126492637

IUPAC1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)CCC1CC(O)CN1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)8-7-11-9-12(16)10-15(11)14(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyWQQYRAWKPWSRBD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds2

About 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol

1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol (PubChem CID 126492637) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol
PubChem CID126492637
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)CCC1CC(O)CN1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)8-7-11-9-12(16)10-15(11)14(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyWQQYRAWKPWSRBD-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The IUPAC name of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol (CID 126492637) is 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol is CC(C)(C)CCC1CC(O)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The InChIKey is WQQYRAWKPWSRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)8-7-11-9-12(16)10-15(11)14(4,5)6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol?
1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol is sourced from PubChem (CID 126492637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).