N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide

C9H17N3 — CID 20636449

IUPACN'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide
SMILESC/C(N)=N/N=C1/CCCC(C)C1
InChIInChI=1S/C9H17N3/c1-7-4-3-5-9(6-7)12-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)/b12-9-
InChIKeyGIPSNVMUBUJREL-XFXZXTDPSA-N
MW167.26 g/mol
LogP1.93
Rot. Bonds1

About N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide

N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide (PubChem CID 20636449) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide
PubChem CID20636449
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide
SMILESC/C(N)=N/N=C1/CCCC(C)C1
InChIInChI=1S/C9H17N3/c1-7-4-3-5-9(6-7)12-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)/b12-9-
InChIKeyGIPSNVMUBUJREL-XFXZXTDPSA-N
XLogP1.93
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide?
The IUPAC name of N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide (CID 20636449) is N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide.
What is the SMILES notation for N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide?
The canonical SMILES for N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide is C/C(N)=N/N=C1/CCCC(C)C1.
What is the InChIKey of N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide?
The InChIKey is GIPSNVMUBUJREL-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-4-3-5-9(6-7)12-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)/b12-9-.
What are the key properties of N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide?
N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-methylcyclohexylidene)amino]ethanimidamide is sourced from PubChem (CID 20636449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).