1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine

C16H27N3O2 — CID 111756754

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C16H27N3O2/c1-6-17-14(18-11-12-8-7-9-21-12)19-13-10-16(4,20-5)15(13,2)3/h7-9,13H,6,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyQKPSQRIBCAWUNB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.54
Rot. Bonds5

About 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine

1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine (PubChem CID 111756754) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine
PubChem CID111756754
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C16H27N3O2/c1-6-17-14(18-11-12-8-7-9-21-12)19-13-10-16(4,20-5)15(13,2)3/h7-9,13H,6,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyQKPSQRIBCAWUNB-UHFFFAOYSA-N
XLogP2.54
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-ethyl-2-(furan-2-ylmethyl)-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110937349
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110939005
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965367
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 110937490
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111757003
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110937460

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine (CID 111756754) is 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine is CCN/C(=N\Cc1ccco1)NC1CC(C)(OC)C1(C)C.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine?
The InChIKey is QKPSQRIBCAWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-17-14(18-11-12-8-7-9-21-12)19-13-10-16(4,20-5)15(13,2)3/h7-9,13H,6,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine has a molecular weight of 293.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine is sourced from PubChem (CID 111756754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).