ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide

C11H24N2O — CID 163266627

IUPACethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
SMILESCC.CCN1CCC(N(C)C(C)=O)C1
InChIInChI=1S/C9H18N2O.C2H6/c1-4-11-6-5-9(7-11)10(3)8(2)12;1-2/h9H,4-7H2,1-3H3;1-2H3
InChIKeyIBBXEGHEPCIDBE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.59
Rot. Bonds2

About ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide

ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide (PubChem CID 163266627) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
PubChem CID163266627
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
SMILESCC.CCN1CCC(N(C)C(C)=O)C1
InChIInChI=1S/C9H18N2O.C2H6/c1-4-11-6-5-9(7-11)10(3)8(2)12;1-2/h9H,4-7H2,1-3H3;1-2H3
InChIKeyIBBXEGHEPCIDBE-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea
CID 67580612
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide
CID 22954158
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide?
The IUPAC name of ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide (CID 163266627) is ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide.
What is the SMILES notation for ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide?
The canonical SMILES for ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide is CC.CCN1CCC(N(C)C(C)=O)C1.
What is the InChIKey of ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide?
The InChIKey is IBBXEGHEPCIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6/c1-4-11-6-5-9(7-11)10(3)8(2)12;1-2/h9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide?
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide has a molecular weight of 200.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 163266627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).