N-(cyanomethyl)-N-methylcycloheptanecarboxamide

C11H18N2O — CID 62586502

IUPACN-(cyanomethyl)-N-methylcycloheptanecarboxamide
SMILESCN(CC#N)C(=O)C1CCCCCC1
InChIInChI=1S/C11H18N2O/c1-13(9-8-12)11(14)10-6-4-2-3-5-7-10/h10H,2-7,9H2,1H3
InChIKeyPHMUOBVBRRVUPO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds2

About N-(cyanomethyl)-N-methylcycloheptanecarboxamide

N-(cyanomethyl)-N-methylcycloheptanecarboxamide (PubChem CID 62586502) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methylcycloheptanecarboxamide
PubChem CID62586502
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(cyanomethyl)-N-methylcycloheptanecarboxamide
SMILESCN(CC#N)C(=O)C1CCCCCC1
InChIInChI=1S/C11H18N2O/c1-13(9-8-12)11(14)10-6-4-2-3-5-7-10/h10H,2-7,9H2,1H3
InChIKeyPHMUOBVBRRVUPO-UHFFFAOYSA-N
XLogP1.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
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-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
CID 82129288
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methylcycloheptanecarboxamide?
The IUPAC name of N-(cyanomethyl)-N-methylcycloheptanecarboxamide (CID 62586502) is N-(cyanomethyl)-N-methylcycloheptanecarboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methylcycloheptanecarboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methylcycloheptanecarboxamide is CN(CC#N)C(=O)C1CCCCCC1.
What is the InChIKey of N-(cyanomethyl)-N-methylcycloheptanecarboxamide?
The InChIKey is PHMUOBVBRRVUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(9-8-12)11(14)10-6-4-2-3-5-7-10/h10H,2-7,9H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methylcycloheptanecarboxamide?
N-(cyanomethyl)-N-methylcycloheptanecarboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methylcycloheptanecarboxamide is sourced from PubChem (CID 62586502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).