5-[(dibutylamino)methyl]pyrrolidin-3-ol

C13H28N2O — CID 66056350

IUPAC5-[(dibutylamino)methyl]pyrrolidin-3-ol
SMILESCCCCN(CCCC)CC1CC(O)CN1
InChIInChI=1S/C13H28N2O/c1-3-5-7-15(8-6-4-2)11-12-9-13(16)10-14-12/h12-14,16H,3-11H2,1-2H3
InChIKeyWWLXJOVKBBTYSW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds8

About 5-[(dibutylamino)methyl]pyrrolidin-3-ol

5-[(dibutylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056350) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[(dibutylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dibutylamino)methyl]pyrrolidin-3-ol
PubChem CID66056350
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[(dibutylamino)methyl]pyrrolidin-3-ol
SMILESCCCCN(CCCC)CC1CC(O)CN1
InChIInChI=1S/C13H28N2O/c1-3-5-7-15(8-6-4-2)11-12-9-13(16)10-14-12/h12-14,16H,3-11H2,1-2H3
InChIKeyWWLXJOVKBBTYSW-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol
CID 66055763
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
CID 61215107
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
CID 82952206
ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
5-(propylaminomethyl)pyrrolidin-3-ol
CID 66056154
5-[(N-ethylanilino)methyl]pyrrolidin-3-ol
CID 66055361
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyrrolidin-3-ol
CID 66056161
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 81056012
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377

Frequently Asked Questions

What is the IUPAC name of 5-[(dibutylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dibutylamino)methyl]pyrrolidin-3-ol (CID 66056350) is 5-[(dibutylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dibutylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dibutylamino)methyl]pyrrolidin-3-ol is CCCCN(CCCC)CC1CC(O)CN1.
What is the InChIKey of 5-[(dibutylamino)methyl]pyrrolidin-3-ol?
The InChIKey is WWLXJOVKBBTYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-5-7-15(8-6-4-2)11-12-9-13(16)10-14-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 5-[(dibutylamino)methyl]pyrrolidin-3-ol?
5-[(dibutylamino)methyl]pyrrolidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibutylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).