1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine

C15H25N3O2 — CID 119162948

IUPAC1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
SMILESC/N=C(\NCc1ccoc1)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-14(2)12(8-15(14,3)19-5)18-13(16-4)17-9-11-6-7-20-10-11/h6-7,10,12H,8-9H2,1-5H3,(H2,16,17,18)
InChIKeyUGQZOOHYNQSLEQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds4

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

1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine (PubChem CID 119162948) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
PubChem CID119162948
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
SMILESC/N=C(\NCc1ccoc1)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-14(2)12(8-15(14,3)19-5)18-13(16-4)17-9-11-6-7-20-10-11/h6-7,10,12H,8-9H2,1-5H3,(H2,16,17,18)
InChIKeyUGQZOOHYNQSLEQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
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'}

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Related Compounds

1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
CID 119160072
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine;hydroiodide
CID 109445916
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111756813
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111756925
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151160
1-ethyl-2-(furan-2-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)guanidine
CID 111756754
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111981659
1-(2-chloroprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141140
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 95931426
1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151152
1-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine (CID 119162948) is 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine is C/N=C(\NCc1ccoc1)NC1CC(C)(OC)C1(C)C.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine?
The InChIKey is UGQZOOHYNQSLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2)12(8-15(14,3)19-5)18-13(16-4)17-9-11-6-7-20-10-11/h6-7,10,12H,8-9H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine?
1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine has a molecular weight of 279.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine is sourced from PubChem (CID 119162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).