4-methoxy-N,N,1-trimethylpyrrolidin-3-amine

C8H18N2O — CID 163270635

IUPAC4-methoxy-N,N,1-trimethylpyrrolidin-3-amine
SMILESCOC1CN(C)CC1N(C)C
InChIInChI=1S/C8H18N2O/c1-9(2)7-5-10(3)6-8(7)11-4/h7-8H,5-6H2,1-4H3
InChIKeyATLPFIMMRMJINN-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.12
Rot. Bonds2

About 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine

4-methoxy-N,N,1-trimethylpyrrolidin-3-amine (PubChem CID 163270635) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-methoxy-N,N,1-trimethylpyrrolidin-3-amine
PubChem CID163270635
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-methoxy-N,N,1-trimethylpyrrolidin-3-amine
SMILESCOC1CN(C)CC1N(C)C
InChIInChI=1S/C8H18N2O/c1-9(2)7-5-10(3)6-8(7)11-4/h7-8H,5-6H2,1-4H3
InChIKeyATLPFIMMRMJINN-UHFFFAOYSA-N
XLogP-0.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine?
The IUPAC name of 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine (CID 163270635) is 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine?
The canonical SMILES for 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine is COC1CN(C)CC1N(C)C.
What is the InChIKey of 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine?
The InChIKey is ATLPFIMMRMJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9(2)7-5-10(3)6-8(7)11-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine?
4-methoxy-N,N,1-trimethylpyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N,1-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 163270635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).