ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide

C10H18N2 — CID 144747119

IUPACethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide
SMILESC=C1CCC/C1=N\C=N\C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-7-4-3-5-8(7)10-6-9-2;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+,10-8+;
InChIKeyWVZUSLPTBSSAEO-SOLPIYCBSA-N
MW166.27 g/mol
LogP2.85
Rot. Bonds1

About ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide

ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide (PubChem CID 144747119) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide
PubChem CID144747119
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide
SMILESC=C1CCC/C1=N\C=N\C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-7-4-3-5-8(7)10-6-9-2;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+,10-8+;
InChIKeyWVZUSLPTBSSAEO-SOLPIYCBSA-N
XLogP2.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide?
The IUPAC name of ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide (CID 144747119) is ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide?
The canonical SMILES for ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide is C=C1CCC/C1=N\C=N\C.CC.
What is the InChIKey of ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide?
The InChIKey is WVZUSLPTBSSAEO-SOLPIYCBSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-7-4-3-5-8(7)10-6-9-2;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+,10-8+;.
What are the key properties of ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide?
ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide is sourced from PubChem (CID 144747119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).