N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide

C13H20N4O — CID 65240429

IUPACN,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N(CC#N)CC#N)CCCCC1
InChIInChI=1S/C13H20N4O/c1-16-13(5-3-2-4-6-13)11-12(18)17(9-7-14)10-8-15/h16H,2-6,9-11H2,1H3
InChIKeyCQTXPDZWONHZFM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds5

About N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide

N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240429) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240429
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N(CC#N)CC#N)CCCCC1
InChIInChI=1S/C13H20N4O/c1-16-13(5-3-2-4-6-13)11-12(18)17(9-7-14)10-8-15/h16H,2-6,9-11H2,1H3
InChIKeyCQTXPDZWONHZFM-UHFFFAOYSA-N
XLogP1.17
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
N-ethyl-N-(2-ethylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242290
N-[2-(dimethylamino)ethyl]-2-[1-(methylamino)cyclohexyl]-N-propylacetamide
CID 65242275
2-(1-aminocyclobutyl)-N,N-bis(cyanomethyl)acetamide
CID 79852041
N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 65242064
N-(2-methoxyethyl)-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242165
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 105417592
N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 65242569
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 104986182
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240429) is N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)N(CC#N)CC#N)CCCCC1.
What is the InChIKey of N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is CQTXPDZWONHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-13(5-3-2-4-6-13)11-12(18)17(9-7-14)10-8-15/h16H,2-6,9-11H2,1H3.
What are the key properties of N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).