3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol

C11H24N2O — CID 111497123

IUPAC3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol
SMILESCCN(C)CC1CCN(CCCO)C1
InChIInChI=1S/C11H24N2O/c1-3-12(2)9-11-5-7-13(10-11)6-4-8-14/h11,14H,3-10H2,1-2H3
InChIKeyAYAWNAVKPOGJDQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds6

About 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol

3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol (PubChem CID 111497123) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol
PubChem CID111497123
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol
SMILESCCN(C)CC1CCN(CCCO)C1
InChIInChI=1S/C11H24N2O/c1-3-12(2)9-11-5-7-13(10-11)6-4-8-14/h11,14H,3-10H2,1-2H3
InChIKeyAYAWNAVKPOGJDQ-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol (CID 111497123) is 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol is CCN(C)CC1CCN(CCCO)C1.
What is the InChIKey of 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol?
The InChIKey is AYAWNAVKPOGJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-12(2)9-11-5-7-13(10-11)6-4-8-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol?
3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 111497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).