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

C9H20N2 — CID 54193923

IUPAC1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCC1CNCC1CN(C)C
InChIInChI=1S/C9H20N2/c1-4-8-5-10-6-9(8)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyFHMWKKIROBLWOB-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.79
Rot. Bonds3

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

1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 54193923) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID54193923
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCC1CNCC1CN(C)C
InChIInChI=1S/C9H20N2/c1-4-8-5-10-6-9(8)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyFHMWKKIROBLWOB-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine (CID 54193923) is 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine is CCC1CNCC1CN(C)C.
What is the InChIKey of 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FHMWKKIROBLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-8-5-10-6-9(8)7-11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 54193923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).