N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane

C10H22N2O — CID 159182126

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
SMILESC.CCN1CCCC1CNC(C)=O
InChIInChI=1S/C9H18N2O.CH4/c1-3-11-6-4-5-9(11)7-10-8(2)12;/h9H,3-7H2,1-2H3,(H,10,12);1H4
InChIKeyKNAMLXPHGMOZCL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.24
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane

N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane (PubChem CID 159182126) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
PubChem CID159182126
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
SMILESC.CCN1CCCC1CNC(C)=O
InChIInChI=1S/C9H18N2O.CH4/c1-3-11-6-4-5-9(11)7-10-8(2)12;/h9H,3-7H2,1-2H3,(H,10,12);1H4
InChIKeyKNAMLXPHGMOZCL-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 98681847
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carbothioamide
CID 43414187
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane (CID 159182126) is N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane is C.CCN1CCCC1CNC(C)=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane?
The InChIKey is KNAMLXPHGMOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.CH4/c1-3-11-6-4-5-9(11)7-10-8(2)12;/h9H,3-7H2,1-2H3,(H,10,12);1H4.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane?
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane has a molecular weight of 186.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane is sourced from PubChem (CID 159182126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).