1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine

C13H27N3O — CID 103711686

IUPAC1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-2-5-11(8-9-17)10-15-13(14)16-12-6-3-4-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15,16)
InChIKeyCKCQSHRHZHZODX-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.63
Rot. Bonds7

About 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine

1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine (PubChem CID 103711686) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
PubChem CID103711686
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-2-5-11(8-9-17)10-15-13(14)16-12-6-3-4-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15,16)
InChIKeyCKCQSHRHZHZODX-UHFFFAOYSA-N
XLogP1.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

1-Ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111990587
2-Cyclohexyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 55064063
1-(1-Hydroxy-4-methylpentan-2-yl)-2-methylguanidine
CID 62358637
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
1-(1-Hydroxy-4-methylpentan-2-yl)-2-(2-methylpropyl)guanidine
CID 62363328
2-Cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62368903
1-Cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411958
1-[1-(Hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
CID 62521969
2-Ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62522145
1-[1-(Hydroxymethyl)cyclopentyl]-2-propylguanidine
CID 62522146

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine (CID 103711686) is 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine is CCCC(CCO)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The InChIKey is CKCQSHRHZHZODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-5-11(8-9-17)10-15-13(14)16-12-6-3-4-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine is sourced from PubChem (CID 103711686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).