[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol

C11H24N2O — CID 18723531

IUPAC[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCCN(CC)CC1CN(C)CC1CO
InChIInChI=1S/C11H24N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h10-11,14H,4-9H2,1-3H3
InChIKeyQAOXGHANZBQORH-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.50
Rot. Bonds5

About [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol

[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 18723531) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID18723531
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCCN(CC)CC1CN(C)CC1CO
InChIInChI=1S/C11H24N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h10-11,14H,4-9H2,1-3H3
InChIKeyQAOXGHANZBQORH-UHFFFAOYSA-N
XLogP0.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol (CID 18723531) is [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol is CCN(CC)CC1CN(C)CC1CO.
What is the InChIKey of [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is QAOXGHANZBQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol?
[4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 18723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).