N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

C15H30ClN3O — CID 119905606

IUPACN-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NC2CCCC(C)C2C)C1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-11-5-4-6-14(12(11)2)17-15(19)10-18-8-7-13(9-18)16-3;/h11-14,16H,4-10H2,1-3H3,(H,17,19);1H
InChIKeyFGQLQQGNWYKKBV-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.64
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119905606) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119905606
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NC2CCCC(C)C2C)C1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-11-5-4-6-14(12(11)2)17-15(19)10-18-8-7-13(9-18)16-3;/h11-14,16H,4-10H2,1-3H3,(H,17,19);1H
InChIKeyFGQLQQGNWYKKBV-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(3S)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 124742724
N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
CID 56805712
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 81497201
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119905606) is N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)NC2CCCC(C)C2C)C1.Cl.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is FGQLQQGNWYKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-11-5-4-6-14(12(11)2)17-15(19)10-18-8-7-13(9-18)16-3;/h11-14,16H,4-10H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119905606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).