2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine

C13H27N3O — CID 55064063

IUPAC2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(CO)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)8-12(9-17)16-13(14)15-11-6-4-3-5-7-11/h10-12,17H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyNTWLRZFIEMKCRW-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.63
Rot. Bonds5

About 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine

2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine (PubChem CID 55064063) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
PubChem CID55064063
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(CO)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)8-12(9-17)16-13(14)15-11-6-4-3-5-7-11/h10-12,17H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyNTWLRZFIEMKCRW-UHFFFAOYSA-N
XLogP1.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.63
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 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine (CID 55064063) is 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine is CC(C)CC(CO)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The InChIKey is NTWLRZFIEMKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)8-12(9-17)16-13(14)15-11-6-4-3-5-7-11/h10-12,17H,3-9H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine is sourced from PubChem (CID 55064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).