2-[(2,2-dimethylcyclohexylidene)amino]guanidine

C9H18N4 — CID 79853397

IUPAC2-[(2,2-dimethylcyclohexylidene)amino]guanidine
SMILESCC1(C)CCCCC1=NN=C(N)N
InChIInChI=1S/C9H18N4/c1-9(2)6-4-3-5-7(9)12-13-8(10)11/h3-6H2,1-2H3,(H4,10,11,13)
InChIKeyBFHITFOKFGAICE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.22
Rot. Bonds1

About 2-[(2,2-dimethylcyclohexylidene)amino]guanidine

2-[(2,2-dimethylcyclohexylidene)amino]guanidine (PubChem CID 79853397) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexylidene)amino]guanidine
PubChem CID79853397
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-[(2,2-dimethylcyclohexylidene)amino]guanidine
SMILESCC1(C)CCCCC1=NN=C(N)N
InChIInChI=1S/C9H18N4/c1-9(2)6-4-3-5-7(9)12-13-8(10)11/h3-6H2,1-2H3,(H4,10,11,13)
InChIKeyBFHITFOKFGAICE-UHFFFAOYSA-N
XLogP1.22
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
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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Related Compounds

Hydrazinecarboximidamide, 2-(2-methylcyclohexylidene)-, monohydrochloride
CID 9578644
2-[(4-Propylcyclohexylidene)amino]guanidine
CID 3890761
2-[(E)-(2-methylcyclohexylidene)amino]guanidine
CID 9578645
diamino[(2E)-2-(4-cyclohexyl-4-methylpentan-2-ylidene)hydrazinyl]methylium
CID 24214219
2-[(Z)-(2-methylcyclohexylidene)amino]guanidine
CID 5493421
3,3,5,5-Tetramethylcyclohexan-1-imine
CID 89138638
4,4-Dimethylcyclohexane-1,2-diimine
CID 90998915
2-(2,6-Dimethylheptan-4-ylideneamino)guanidine
CID 115571090
1-(1-Methylcyclohexyl)ethanimine
CID 130282781
(Z)-[(6Z)-6-hydrazinylidene-2,2,5,5-tetramethylcyclohexylidene]hydrazine
CID 141770234
4-Ethyl-4-methylcyclohexan-1-imine
CID 143498509
2-[(2-Methylcyclohexylidene)amino]guanidine;hydrochloride
CID 215620

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexylidene)amino]guanidine?
The IUPAC name of 2-[(2,2-dimethylcyclohexylidene)amino]guanidine (CID 79853397) is 2-[(2,2-dimethylcyclohexylidene)amino]guanidine.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexylidene)amino]guanidine?
The canonical SMILES for 2-[(2,2-dimethylcyclohexylidene)amino]guanidine is CC1(C)CCCCC1=NN=C(N)N.
What is the InChIKey of 2-[(2,2-dimethylcyclohexylidene)amino]guanidine?
The InChIKey is BFHITFOKFGAICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2)6-4-3-5-7(9)12-13-8(10)11/h3-6H2,1-2H3,(H4,10,11,13).
What are the key properties of 2-[(2,2-dimethylcyclohexylidene)amino]guanidine?
2-[(2,2-dimethylcyclohexylidene)amino]guanidine has a molecular weight of 182.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexylidene)amino]guanidine is sourced from PubChem (CID 79853397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).