(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol

C10H22N2O — CID 126847057

IUPAC(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
SMILESCCCCN(CC)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O/c1-3-5-6-12(4-2)9-7-11-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJSIIAKWEWOPNFY-NXEZZACHSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds5

About (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol

(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol (PubChem CID 126847057) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
PubChem CID126847057
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
SMILESCCCCN(CC)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O/c1-3-5-6-12(4-2)9-7-11-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJSIIAKWEWOPNFY-NXEZZACHSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-[butyl(ethyl)amino]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

Related Compounds

(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
3-N,3-N,4-N,4-N,5-N,5-N-hexabutylpiperidine-3,4,5-triamine
CID 23374298
4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63701583
2-[azetidin-3-yl(butyl)amino]ethanol
CID 79467930
4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63703686
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
CID 165491780
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
2-(dihexylamino)cyclohexan-1-ol
CID 139882524

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol (CID 126847057) is (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol is CCCCN(CC)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol?
The InChIKey is JSIIAKWEWOPNFY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-6-12(4-2)9-7-11-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 126847057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).