2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine

C12H25N3O — CID 106173666

IUPAC2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
SMILESCCC(C)(CCO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-12(2,8-9-16)15-11(13)14-10-6-4-5-7-10/h10,16H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyRWQDJFBTLLHUIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds5

About 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine

2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine (PubChem CID 106173666) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
PubChem CID106173666
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
SMILESCCC(C)(CCO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-12(2,8-9-16)15-11(13)14-10-6-4-5-7-10/h10,16H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyRWQDJFBTLLHUIM-UHFFFAOYSA-N
XLogP1.38
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
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

2-Cyclopentyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine
CID 62362966
2-Cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62368903
1-Cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411958
1-[3-(Hydroxymethyl)pentan-3-yl]-2-propan-2-ylguanidine
CID 62519834
1-[1-(Hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
CID 62521969
2-Cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62521970
2-Cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62521971
2-Ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62522145
1-[1-(Hydroxymethyl)cyclopentyl]-2-propylguanidine
CID 62522146
1-[1-(Hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine
CID 62522147
2-Cyclopropyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62522328
1-[1-(Hydroxymethyl)cyclopentyl]-2-methylguanidine
CID 62522329

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine (CID 106173666) is 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine is CCC(C)(CCO)N/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine?
The InChIKey is RWQDJFBTLLHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-12(2,8-9-16)15-11(13)14-10-6-4-5-7-10/h10,16H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine?
2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine is sourced from PubChem (CID 106173666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).