1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

C19H32N4O — CID 111756794

IUPAC1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCOC1CC(N/C(=N/Cc2ccccn2)NCC)C1(C)C
InChIInChI=1S/C19H32N4O/c1-5-7-12-24-17-13-16(19(17,3)4)23-18(20-6-2)22-14-15-10-8-9-11-21-15/h8-11,16-17H,5-7,12-14H2,1-4H3,(H2,20,22,23)
InChIKeyMXRKKTNWGAXBTB-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.12
Rot. Bonds8

About 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111756794) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111756794
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCOC1CC(N/C(=N/Cc2ccccn2)NCC)C1(C)C
InChIInChI=1S/C19H32N4O/c1-5-7-12-24-17-13-16(19(17,3)4)23-18(20-6-2)22-14-15-10-8-9-11-21-15/h8-11,16-17H,5-7,12-14H2,1-4H3,(H2,20,22,23)
InChIKeyMXRKKTNWGAXBTB-UHFFFAOYSA-N
XLogP3.12
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)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-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111756411
1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111756760
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494229
1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547404
1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111758979
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790383
1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111195830
1-(3-butoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
CID 111757560
1-ethyl-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 129446400
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (CID 111756794) is 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is CCCCOC1CC(N/C(=N/Cc2ccccn2)NCC)C1(C)C.
What is the InChIKey of 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is MXRKKTNWGAXBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-7-12-24-17-13-16(19(17,3)4)23-18(20-6-2)22-14-15-10-8-9-11-21-15/h8-11,16-17H,5-7,12-14H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111756794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).