1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

C18H28N4 — CID 120662966

IUPAC1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCCc1cccc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C18H28N4/c1-2-14-7-6-8-15(11-14)20-18(19)21-16-12-17(13-16)22-9-4-3-5-10-22/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H3,19,20,21)
InChIKeyQBVHNRLYVPMVRP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (PubChem CID 120662966) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
PubChem CID120662966
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCCc1cccc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C18H28N4/c1-2-14-7-6-8-15(11-14)20-18(19)21-16-12-17(13-16)22-9-4-3-5-10-22/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H3,19,20,21)
InChIKeyQBVHNRLYVPMVRP-UHFFFAOYSA-N
XLogP2.99
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
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-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663034
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761
1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662526
1-(3-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058321
1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
1-(3-methoxyphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662544
tert-butyl 3-[[amino-(3-ethylanilino)methylidene]amino]azetidine-1-carboxylate
CID 111911196

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (CID 120662966) is 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is CCc1cccc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The InChIKey is QBVHNRLYVPMVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-14-7-6-8-15(11-14)20-18(19)21-16-12-17(13-16)22-9-4-3-5-10-22/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H3,19,20,21).
What are the key properties of 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine has a molecular weight of 300.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is sourced from PubChem (CID 120662966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).