N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide

C12H25N3O3 — CID 103531208

IUPACN-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
SMILESCOC1CN(CC(=O)N(C)CCCN)CC1OC
InChIInChI=1S/C12H25N3O3/c1-14(6-4-5-13)12(16)9-15-7-10(17-2)11(8-15)18-3/h10-11H,4-9,13H2,1-3H3
InChIKeyQNDREFNIHUELSD-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.86
Rot. Bonds7

About N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide

N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide (PubChem CID 103531208) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
PubChem CID103531208
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
SMILESCOC1CN(CC(=O)N(C)CCCN)CC1OC
InChIInChI=1S/C12H25N3O3/c1-14(6-4-5-13)12(16)9-15-7-10(17-2)11(8-15)18-3/h10-11H,4-9,13H2,1-3H3
InChIKeyQNDREFNIHUELSD-UHFFFAOYSA-N
XLogP-0.86
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519
N-(3-aminopropyl)-N-methyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 60973784
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 121200050
2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
CID 43309505
methyl 4-[methyl-(2-piperazin-1-ylacetyl)amino]butanoate
CID 54944719
N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
CID 43254220

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide (CID 103531208) is N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide is COC1CN(CC(=O)N(C)CCCN)CC1OC.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide?
The InChIKey is QNDREFNIHUELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-14(6-4-5-13)12(16)9-15-7-10(17-2)11(8-15)18-3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide?
N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide has a molecular weight of 259.35 g/mol, XLogP of -0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 103531208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).