5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol

C12H24N2O — CID 66055763

IUPAC5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol
SMILESCCCN(CC1CC1)CC1CC(O)CN1
InChIInChI=1S/C12H24N2O/c1-2-5-14(8-10-3-4-10)9-11-6-12(15)7-13-11/h10-13,15H,2-9H2,1H3
InChIKeyXPMLCHUHFWOAHK-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds6

About 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol

5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66055763) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66055763
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol
SMILESCCCN(CC1CC1)CC1CC(O)CN1
InChIInChI=1S/C12H24N2O/c1-2-5-14(8-10-3-4-10)9-11-6-12(15)7-13-11/h10-13,15H,2-9H2,1H3
InChIKeyXPMLCHUHFWOAHK-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol (CID 66055763) is 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol is CCCN(CC1CC1)CC1CC(O)CN1.
What is the InChIKey of 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is XPMLCHUHFWOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-5-14(8-10-3-4-10)9-11-6-12(15)7-13-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol?
5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(propyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).