2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide

C17H31N3O — CID 61451259

IUPAC2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
SMILESCCCC1CCC(C#N)C(N(C)CC(=O)N(CC)CC)C1
InChIInChI=1S/C17H31N3O/c1-5-8-14-9-10-15(12-18)16(11-14)19(4)13-17(21)20(6-2)7-3/h14-16H,5-11,13H2,1-4H3
InChIKeyNBFXDIXTJWCZIA-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.90
Rot. Bonds7

About 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide

2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide (PubChem CID 61451259) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
PubChem CID61451259
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
SMILESCCCC1CCC(C#N)C(N(C)CC(=O)N(CC)CC)C1
InChIInChI=1S/C17H31N3O/c1-5-8-14-9-10-15(12-18)16(11-14)19(4)13-17(21)20(6-2)7-3/h14-16H,5-11,13H2,1-4H3
InChIKeyNBFXDIXTJWCZIA-UHFFFAOYSA-N
XLogP2.90
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 43291631
2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
CID 55002711
2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
CID 43291824
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
CID 43611121
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
ethyl 2-(2-cyano-5-propylcyclohexyl)sulfonylacetate
CID 64690402

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide (CID 61451259) is 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide is CCCC1CCC(C#N)C(N(C)CC(=O)N(CC)CC)C1.
What is the InChIKey of 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is NBFXDIXTJWCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-8-14-9-10-15(12-18)16(11-14)19(4)13-17(21)20(6-2)7-3/h14-16H,5-11,13H2,1-4H3.
What are the key properties of 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide?
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 293.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 61451259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).