1-(4-hydroxycyclohexyl)-2-methylguanidine

C8H17N3O — CID 62358617

IUPAC1-(4-hydroxycyclohexyl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-6-2-4-7(12)5-3-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeySYMQXUCOCJDFMW-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.18
Rot. Bonds1

About 1-(4-hydroxycyclohexyl)-2-methylguanidine

1-(4-hydroxycyclohexyl)-2-methylguanidine (PubChem CID 62358617) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-methylguanidine
PubChem CID62358617
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(4-hydroxycyclohexyl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-6-2-4-7(12)5-3-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeySYMQXUCOCJDFMW-UHFFFAOYSA-N
XLogP-0.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.18
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-(4-Hydroxycyclohexyl)-2-(2-sulfanylethyl)guanidine
CID 71568715
1-[4-(Difluoromethoxy)cyclohexyl]-2-methylguanidine
CID 164163010
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111189967
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111189968
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111190145
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111190146
2-(2,2-Difluoroethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979611
1-Ethyl-3-(4-hydroxycyclohexyl)-2-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112433298
1-Ethyl-3-(4-hydroxycyclohexyl)-2-(5,5,5-trifluoropentyl)guanidine
CID 112433299
1,2-Bis(1-hydroxyhexan-2-yl)guanidine
CID 23103903
1-(6-Hydroxyhexyl)-2-methylguanidine
CID 23103976
1-(1-Hydroxyhexan-2-yl)-2-methylguanidine
CID 23103999

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2-methylguanidine?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-methylguanidine (CID 62358617) is 1-(4-hydroxycyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-methylguanidine is C/N=C(\N)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-methylguanidine?
The InChIKey is SYMQXUCOCJDFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11-6-2-4-7(12)5-3-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-methylguanidine?
1-(4-hydroxycyclohexyl)-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2-methylguanidine is sourced from PubChem (CID 62358617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).