1-(4-hydroxycyclohexyl)-2-propylguanidine

C10H21N3O — CID 62364593

IUPAC1-(4-hydroxycyclohexyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-10(11)13-8-3-5-9(14)6-4-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyOZISTYKCEWJLMZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-2-propylguanidine (PubChem CID 62364593) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-propylguanidine
PubChem CID62364593
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(4-hydroxycyclohexyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-10(11)13-8-3-5-9(14)6-4-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyOZISTYKCEWJLMZ-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.60
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-propylguanidine?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-propylguanidine (CID 62364593) is 1-(4-hydroxycyclohexyl)-2-propylguanidine.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-propylguanidine?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-propylguanidine is CCC/N=C(\N)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-propylguanidine?
The InChIKey is OZISTYKCEWJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-7-12-10(11)13-8-3-5-9(14)6-4-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-propylguanidine?
1-(4-hydroxycyclohexyl)-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2-propylguanidine is sourced from PubChem (CID 62364593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).