N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide

C11H18N2O — CID 106827286

IUPACN-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCC#N)CCCCC1
InChIInChI=1S/C11H18N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-7,9H2,1H3,(H,13,14)
InChIKeyXLNXZJJMTDOJIO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds3

About N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide

N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827286) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827286
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCC#N)CCCCC1
InChIInChI=1S/C11H18N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-7,9H2,1H3,(H,13,14)
InChIKeyXLNXZJJMTDOJIO-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828092
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828991
1-[2-(2-cyanoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867554
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide (CID 106827286) is N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCC#N)CCCCC1.
What is the InChIKey of N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is XLNXZJJMTDOJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-7,9H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide?
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).