2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide

C13H27N3O2 — CID 120898773

IUPAC2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)CC1(C)CCNC1
InChIInChI=1S/C13H27N3O2/c1-13(5-6-14-10-13)11-16(7-8-18-4)9-12(17)15(2)3/h14H,5-11H2,1-4H3
InChIKeyLPINZRWMWPAJAF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.02
Rot. Bonds7

About 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide

2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 120898773) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
PubChem CID120898773
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)CC1(C)CCNC1
InChIInChI=1S/C13H27N3O2/c1-13(5-6-14-10-13)11-16(7-8-18-4)9-12(17)15(2)3/h14H,5-11H2,1-4H3
InChIKeyLPINZRWMWPAJAF-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 120899797
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
CID 120899891
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120899081
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 103339377
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623192
N-(3-methoxypropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63142401
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
CID 120903346
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63285324
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide (CID 120898773) is 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)CC1(C)CCNC1.
What is the InChIKey of 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is LPINZRWMWPAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(5-6-14-10-13)11-16(7-8-18-4)9-12(17)15(2)3/h14H,5-11H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide?
2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 257.38 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 120898773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).