1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine

C9H19N3O — CID 130937992

IUPAC1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(11-2)12-7-3-5-8(13)6-4-7/h7-8,13H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyNSFHRHZILKAVFM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.08
Rot. Bonds1

About 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine

1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine (PubChem CID 130937992) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine
PubChem CID130937992
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(11-2)12-7-3-5-8(13)6-4-7/h7-8,13H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyNSFHRHZILKAVFM-UHFFFAOYSA-N
XLogP0.08
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine (CID 130937992) is 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine is C/N=C(\NC)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine?
The InChIKey is NSFHRHZILKAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-9(11-2)12-7-3-5-8(13)6-4-7/h7-8,13H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine?
1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2,3-dimethylguanidine is sourced from PubChem (CID 130937992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).