N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

C12H20N2O — CID 104986182

IUPACN-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(CC#N)C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(10-9-13)11(15)12(2)7-5-4-6-8-12/h3-8,10H2,1-2H3
InChIKeyXJSTYKBEZKVKOO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds3

About N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (PubChem CID 104986182) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
PubChem CID104986182
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(CC#N)C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(10-9-13)11(15)12(2)7-5-4-6-8-12/h3-8,10H2,1-2H3
InChIKeyXJSTYKBEZKVKOO-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 78971175
N-(cyanomethyl)-N-ethyl-2-methylthiolane-2-carboxamide
CID 81003628
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106827331
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
N-ethyl-1-methyl-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 143843399
N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106828141
1-(cyanomethyl)-3,3-diethyl-1-propylurea
CID 79161064
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240429

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (CID 104986182) is N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide is CCN(CC#N)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is XJSTYKBEZKVKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(10-9-13)11(15)12(2)7-5-4-6-8-12/h3-8,10H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 104986182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).