1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine

C9H20N2 — CID 20763621

IUPAC1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CN(C)CC1(C)C
InChIInChI=1S/C9H20N2/c1-7(10)8-5-11(4)6-9(8,2)3/h7-8H,5-6,10H2,1-4H3
InChIKeyQLXDLHGJAMFXRG-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.92
Rot. Bonds1

About 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine

1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine (PubChem CID 20763621) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine
PubChem CID20763621
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CN(C)CC1(C)C
InChIInChI=1S/C9H20N2/c1-7(10)8-5-11(4)6-9(8,2)3/h7-8H,5-6,10H2,1-4H3
InChIKeyQLXDLHGJAMFXRG-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine (CID 20763621) is 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine is CC(N)C1CN(C)CC1(C)C.
What is the InChIKey of 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine?
The InChIKey is QLXDLHGJAMFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(10)8-5-11(4)6-9(8,2)3/h7-8H,5-6,10H2,1-4H3.
What are the key properties of 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine?
1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,4-trimethylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).