1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine

C13H25N3O — CID 111833833

IUPAC1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(O)CCC1)NC1CCCC1
InChIInChI=1S/C13H25N3O/c1-2-14-12(16-11-6-3-4-7-11)15-10-13(17)8-5-9-13/h11,17H,2-10H2,1H3,(H2,14,15,16)
InChIKeyJZUUEXFFWSZOLE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.40
Rot. Bonds4

About 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine

1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine (PubChem CID 111833833) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
PubChem CID111833833
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(O)CCC1)NC1CCCC1
InChIInChI=1S/C13H25N3O/c1-2-14-12(16-11-6-3-4-7-11)15-10-13(17)8-5-9-13/h11,17H,2-10H2,1H3,(H2,14,15,16)
InChIKeyJZUUEXFFWSZOLE-UHFFFAOYSA-N
XLogP1.40
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.40
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-(4,4-dimethylcyclohexyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995365
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)guanidine
CID 111255763
1-ethyl-3-(3-ethylcyclohexyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995647
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 111990219
N-cyclopropyl-3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]cyclohexane-1-carboxamide
CID 111995111
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111996825
ethyl 4-[[N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838288
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine
CID 119156133
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156132
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111548964
3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 111993519
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine (CID 111833833) is 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine is CCN/C(=N\CC1(O)CCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine?
The InChIKey is JZUUEXFFWSZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-14-12(16-11-6-3-4-7-11)15-10-13(17)8-5-9-13/h11,17H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine?
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine is sourced from PubChem (CID 111833833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).