1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine

C13H25N3O — CID 65123694

IUPAC1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
SMILESCC1(C)CCC(O)(C/N=C(\N)NC2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2)5-7-13(17,8-6-12)9-15-11(14)16-10-3-4-10/h10,17H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyBDJQPYUMAFUZOW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds3

About 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine

1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine (PubChem CID 65123694) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
PubChem CID65123694
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
SMILESCC1(C)CCC(O)(C/N=C(\N)NC2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2)5-7-13(17,8-6-12)9-15-11(14)16-10-3-4-10/h10,17H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyBDJQPYUMAFUZOW-UHFFFAOYSA-N
XLogP1.38
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
CID 119120840
1-cyclopropyl-2-[(1-methylsulfanylcyclopropyl)methyl]guanidine
CID 107265845
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
1-(4,4-dimethylcyclohexyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995365
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine (CID 65123694) is 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine is CC1(C)CCC(O)(C/N=C(\N)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine?
The InChIKey is BDJQPYUMAFUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)5-7-13(17,8-6-12)9-15-11(14)16-10-3-4-10/h10,17H,3-9H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine?
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 65123694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).