2-[(4-phenylcyclohexylidene)amino]guanidine

C13H18N4 — CID 4279658

IUPAC2-[(4-phenylcyclohexylidene)amino]guanidine
SMILESNC(N)=NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18N4/c14-13(15)17-16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,14,15,17)/b16-12-
InChIKeyZTLVSWUQYPDLCJ-VBKFSLOCSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds2

About 2-[(4-phenylcyclohexylidene)amino]guanidine

2-[(4-phenylcyclohexylidene)amino]guanidine (PubChem CID 4279658) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-phenylcyclohexylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(4-phenylcyclohexylidene)amino]guanidine
PubChem CID4279658
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(4-phenylcyclohexylidene)amino]guanidine
SMILESNC(N)=NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18N4/c14-13(15)17-16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,14,15,17)/b16-12-
InChIKeyZTLVSWUQYPDLCJ-VBKFSLOCSA-N
XLogP1.97
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylcyclohexylidene)amino]guanidine?
The IUPAC name of 2-[(4-phenylcyclohexylidene)amino]guanidine (CID 4279658) is 2-[(4-phenylcyclohexylidene)amino]guanidine.
What is the SMILES notation for 2-[(4-phenylcyclohexylidene)amino]guanidine?
The canonical SMILES for 2-[(4-phenylcyclohexylidene)amino]guanidine is NC(N)=NN=C1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenylcyclohexylidene)amino]guanidine?
The InChIKey is ZTLVSWUQYPDLCJ-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H18N4/c14-13(15)17-16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,14,15,17)/b16-12-.
What are the key properties of 2-[(4-phenylcyclohexylidene)amino]guanidine?
2-[(4-phenylcyclohexylidene)amino]guanidine has a molecular weight of 230.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylcyclohexylidene)amino]guanidine is sourced from PubChem (CID 4279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).