1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine

C8H18N2O — CID 54249962

IUPAC1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCOC1CNCC1CN(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)6-7-4-9-5-8(7)11-3/h7-9H,4-6H2,1-3H3
InChIKeyKMGIFHQJGZRIQD-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.22
Rot. Bonds3

About 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine

1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 54249962) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID54249962
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCOC1CNCC1CN(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)6-7-4-9-5-8(7)11-3/h7-9H,4-6H2,1-3H3
InChIKeyKMGIFHQJGZRIQD-UHFFFAOYSA-N
XLogP-0.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine (CID 54249962) is 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine is COC1CNCC1CN(C)C.
What is the InChIKey of 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is KMGIFHQJGZRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)6-7-4-9-5-8(7)11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 158.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 54249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).