N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine

C12H27N3O — CID 106617601

IUPACN'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCN(C)C)CC1CCCN1
InChIInChI=1S/C12H27N3O/c1-14(2)7-8-15(9-10-16-3)11-12-5-4-6-13-12/h12-13H,4-11H2,1-3H3
InChIKeyJURJXWGFKGDWMG-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds8

About N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 106617601) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID106617601
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCN(C)C)CC1CCCN1
InChIInChI=1S/C12H27N3O/c1-14(2)7-8-15(9-10-16-3)11-12-5-4-6-13-12/h12-13H,4-11H2,1-3H3
InChIKeyJURJXWGFKGDWMG-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
N-(2-methoxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106606339

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine (CID 106617601) is N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine is COCCN(CCN(C)C)CC1CCCN1.
What is the InChIKey of N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JURJXWGFKGDWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-14(2)7-8-15(9-10-16-3)11-12-5-4-6-13-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 106617601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).