N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C16H31N3O — CID 65242569

IUPACN-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCNC1(CC(=O)N(C)CCN2CCCC2)CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)14-15(20)18(2)12-13-19-10-6-7-11-19/h17H,3-14H2,1-2H3
InChIKeyKDJBKHJPEXXQOX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 65242569) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID65242569
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCNC1(CC(=O)N(C)CCN2CCCC2)CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)14-15(20)18(2)12-13-19-10-6-7-11-19/h17H,3-14H2,1-2H3
InChIKeyKDJBKHJPEXXQOX-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 105417592
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
N-[2-(dimethylamino)ethyl]-2-[1-(methylamino)cyclohexyl]-N-propylacetamide
CID 65242275
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 63210907
N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241957
N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240429

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 65242569) is N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is CNC1(CC(=O)N(C)CCN2CCCC2)CCCCC1.
What is the InChIKey of N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is KDJBKHJPEXXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)14-15(20)18(2)12-13-19-10-6-7-11-19/h17H,3-14H2,1-2H3.
What are the key properties of N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 65242569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).