(3R,5R)-1,5-dibutylpyrrolidin-3-ol

C12H25NO — CID 99995389

IUPAC(3R,5R)-1,5-dibutylpyrrolidin-3-ol
SMILESCCCC[C@@H]1C[C@@H](O)CN1CCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-11-9-12(14)10-13(11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyWGIMVCXZMNMXLW-VXGBXAGGSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds6

About (3R,5R)-1,5-dibutylpyrrolidin-3-ol

(3R,5R)-1,5-dibutylpyrrolidin-3-ol (PubChem CID 99995389) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R,5R)-1,5-dibutylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1,5-dibutylpyrrolidin-3-ol
PubChem CID99995389
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R,5R)-1,5-dibutylpyrrolidin-3-ol
SMILESCCCC[C@@H]1C[C@@H](O)CN1CCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-11-9-12(14)10-13(11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyWGIMVCXZMNMXLW-VXGBXAGGSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5R)-1,5-dibutylpyrrolidin-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

Related Compounds

(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 99995475
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 99995423
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(2R,4R)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 131845382
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1,5-dibutylpyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1,5-dibutylpyrrolidin-3-ol (CID 99995389) is (3R,5R)-1,5-dibutylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1,5-dibutylpyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1,5-dibutylpyrrolidin-3-ol is CCCC[C@@H]1C[C@@H](O)CN1CCCC.
What is the InChIKey of (3R,5R)-1,5-dibutylpyrrolidin-3-ol?
The InChIKey is WGIMVCXZMNMXLW-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-7-11-9-12(14)10-13(11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-1,5-dibutylpyrrolidin-3-ol?
(3R,5R)-1,5-dibutylpyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1,5-dibutylpyrrolidin-3-ol is sourced from PubChem (CID 99995389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).