(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol

C12H25NO — CID 99995423

IUPAC(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCCCC[C@H]1C[C@H](O)CN1CC(C)C
InChIInChI=1S/C12H25NO/c1-4-5-6-11-7-12(14)9-13(11)8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXQKHTYGYGDAATB-RYUDHWBXSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds5

About (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol

(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 99995423) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID99995423
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCCCC[C@H]1C[C@H](O)CN1CC(C)C
InChIInChI=1S/C12H25NO/c1-4-5-6-11-7-12(14)9-13(11)8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXQKHTYGYGDAATB-RYUDHWBXSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze (3S,5S)-5-butyl-1-(2-methylpropyl)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 (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol (CID 99995423) is (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol is CCCC[C@H]1C[C@H](O)CN1CC(C)C.
What is the InChIKey of (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is XQKHTYGYGDAATB-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-11-7-12(14)9-13(11)8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol?
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).