1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine

C16H25N3 — CID 78965901

IUPAC1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC(C)C1CCCCC1/N=C(\N)Nc1ccccc1
InChIInChI=1S/C16H25N3/c1-12(2)14-10-6-7-11-15(14)19-16(17)18-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyVISABEBXAXNULW-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.63
Rot. Bonds3

About 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine

1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine (PubChem CID 78965901) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
PubChem CID78965901
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC(C)C1CCCCC1/N=C(\N)Nc1ccccc1
InChIInChI=1S/C16H25N3/c1-12(2)14-10-6-7-11-15(14)19-16(17)18-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyVISABEBXAXNULW-UHFFFAOYSA-N
XLogP3.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
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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Related Compounds

2-cyclohexyl-1-phenylguanidine
CID 10900077
1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965822
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
CID 21409354
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 79350479
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
1-[6-[C-methyl-N-[(2S)-2-propan-2-ylcyclohexyl]carbonimidoyl]-2-pyridinyl]-N-[(2R)-2-propan-2-ylcyclohexyl]ethanimine
CID 140875240

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The IUPAC name of 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine (CID 78965901) is 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine is CC(C)C1CCCCC1/N=C(\N)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The InChIKey is VISABEBXAXNULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)14-10-6-7-11-15(14)19-16(17)18-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine?
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine is sourced from PubChem (CID 78965901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).