2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine

C11H23N3 — CID 103740868

IUPAC2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(CC)CCC1
InChIInChI=1S/C11H23N3/c1-3-8-13-10(12)14-9-11(4-2)6-5-7-11/h3-9H2,1-2H3,(H3,12,13,14)
InChIKeyDUIISVHEQZTISD-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.88
Rot. Bonds5

About 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine

2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine (PubChem CID 103740868) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine
PubChem CID103740868
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(CC)CCC1
InChIInChI=1S/C11H23N3/c1-3-8-13-10(12)14-9-11(4-2)6-5-7-11/h3-9H2,1-2H3,(H3,12,13,14)
InChIKeyDUIISVHEQZTISD-UHFFFAOYSA-N
XLogP1.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109468806
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109468807
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109469266
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
CID 109469267
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109469511
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109469512
1-(2,2-Difluoroethyl)-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469530
1-(2,2-Difluoroethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469866
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
CID 109470206
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109470515
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109470516
1-[(1-Ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
CID 109470780

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine (CID 103740868) is 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(CC)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine?
The InChIKey is DUIISVHEQZTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-8-13-10(12)14-9-11(4-2)6-5-7-11/h3-9H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine?
2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methyl]-1-propylguanidine is sourced from PubChem (CID 103740868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).