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

C12H25N3O — CID 62368903

IUPAC2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(CO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(8-16)15-12(13)14-10-5-3-4-6-10/h9-11,16H,3-8H2,1-2H3,(H3,13,14,15)
InChIKeyJKQOYJKQDDVRKS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.24
Rot. Bonds5

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

2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine (PubChem CID 62368903) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
PubChem CID62368903
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
SMILESCC(C)CC(CO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(8-16)15-12(13)14-10-5-3-4-6-10/h9-11,16H,3-8H2,1-2H3,(H3,13,14,15)
InChIKeyJKQOYJKQDDVRKS-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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

1,2-Bis(1-hydroxyhexan-2-yl)guanidine
CID 23103903
1-(1-Hydroxyhexan-2-yl)-2-methylguanidine
CID 23103999
3-(Diaminomethylidene)-1-(1-hydroxy-4-methylpentan-2-yl)-1-methylguanidine
CID 134432883
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine
CID 174342279
2-Carbamimidoyl-1-(1-hydroxy-4-methylpentan-2-yl)-1-methylguanidine
CID 176540769
2-Cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 55064063
1-(1-Hydroxy-4-methylpentan-2-yl)-2-methylguanidine
CID 62358637
2-Cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-Cyclopentyl-1-(1-hydroxypropan-2-yl)guanidine
CID 62362963
2-Ethyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62363106
1-(1-Hydroxy-4-methylpentan-2-yl)-2-propylguanidine
CID 62363107
2-(1-Hydroxy-4-methylpentan-2-yl)-1-propan-2-ylguanidine
CID 62363108

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine (CID 62368903) is 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine is CC(C)CC(CO)N/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
The InChIKey is JKQOYJKQDDVRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-11(8-16)15-12(13)14-10-5-3-4-6-10/h9-11,16H,3-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine?
2-cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.24, 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-4-methylpentan-2-yl)guanidine is sourced from PubChem (CID 62368903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).