1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one

C15H31N3O — CID 123824083

IUPAC1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one
SMILESCNN(CCN(C)C)CC1CCCCC1CC(C)=O
InChIInChI=1S/C15H31N3O/c1-13(19)11-14-7-5-6-8-15(14)12-18(16-2)10-9-17(3)4/h14-16H,5-12H2,1-4H3
InChIKeySZEWRGHMBYOQOW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.77
Rot. Bonds8

About 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one

1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one (PubChem CID 123824083) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one
PubChem CID123824083
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one
SMILESCNN(CCN(C)C)CC1CCCCC1CC(C)=O
InChIInChI=1S/C15H31N3O/c1-13(19)11-14-7-5-6-8-15(14)12-18(16-2)10-9-17(3)4/h14-16H,5-12H2,1-4H3
InChIKeySZEWRGHMBYOQOW-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
CID 123827594
1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
CID 178190892
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
1-cyclohexadecylpropan-2-one
CID 175123721
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
CID 67929926
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one?
The IUPAC name of 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one (CID 123824083) is 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one?
The canonical SMILES for 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one is CNN(CCN(C)C)CC1CCCCC1CC(C)=O.
What is the InChIKey of 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one?
The InChIKey is SZEWRGHMBYOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(19)11-14-7-5-6-8-15(14)12-18(16-2)10-9-17(3)4/h14-16H,5-12H2,1-4H3.
What are the key properties of 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one?
1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one has a molecular weight of 269.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one is sourced from PubChem (CID 123824083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).