2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C12H25N3 — CID 116680014

IUPAC2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCC1CNC1)CCN1CCCC1
InChIInChI=1S/C12H25N3/c1-14(7-4-12-10-13-11-12)8-9-15-5-2-3-6-15/h12-13H,2-11H2,1H3
InChIKeyYGIIRVVDSWLMBF-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds6

About 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 116680014) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID116680014
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCC1CNC1)CCN1CCCC1
InChIInChI=1S/C12H25N3/c1-14(7-4-12-10-13-11-12)8-9-15-5-2-3-6-15/h12-13H,2-11H2,1H3
InChIKeyYGIIRVVDSWLMBF-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 63209345
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N-[2-(azetidin-3-yl)ethyl]-N-methylpentan-1-amine
CID 116679385
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 116679616
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
CID 63207778

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 116680014) is 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is CN(CCC1CNC1)CCN1CCCC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is YGIIRVVDSWLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(7-4-12-10-13-11-12)8-9-15-5-2-3-6-15/h12-13H,2-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 116680014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).