2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide

C14H25N3O — CID 54946712

IUPAC2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCC1C#N
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)14(18)11-16(3)13-9-7-6-8-12(13)10-15/h12-13H,4-9,11H2,1-3H3
InChIKeyUPAYNDVGGMTMOX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.87
Rot. Bonds5

About 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide

2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide (PubChem CID 54946712) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
PubChem CID54946712
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCC1C#N
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)14(18)11-16(3)13-9-7-6-8-12(13)10-15/h12-13H,4-9,11H2,1-3H3
InChIKeyUPAYNDVGGMTMOX-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
2-[(2-hydroxy-2-methylpropyl)-methylamino]cycloheptane-1-carbonitrile
CID 79382333
2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 43295782
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-[methyl(3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 61430050
2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 63956187
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330
trans-ethyl (1R,2S)-2-cyanocyclohexane-1-carboxylate
CID 71407745

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide (CID 54946712) is 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C1CCCCC1C#N.
What is the InChIKey of 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is UPAYNDVGGMTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(5-2)14(18)11-16(3)13-9-7-6-8-12(13)10-15/h12-13H,4-9,11H2,1-3H3.
What are the key properties of 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide?
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 54946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).