1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine

C11H19F2N3 — CID 120662388

IUPAC1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
SMILESN/C(=N\CC1(C(F)F)CC1)NCC1CCC1
InChIInChI=1S/C11H19F2N3/c12-9(13)11(4-5-11)7-16-10(14)15-6-8-2-1-3-8/h8-9H,1-7H2,(H3,14,15,16)
InChIKeyMYXHFILVFSAAPS-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.74
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine

1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine (PubChem CID 120662388) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
PubChem CID120662388
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
SMILESN/C(=N\CC1(C(F)F)CC1)NCC1CCC1
InChIInChI=1S/C11H19F2N3/c12-9(13)11(4-5-11)7-16-10(14)15-6-8-2-1-3-8/h8-9H,1-7H2,(H3,14,15,16)
InChIKeyMYXHFILVFSAAPS-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.74
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'}

Analyze 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]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-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-(cyclobutylmethyl)-2-[(4-methyloxan-4-yl)methyl]guanidine;hydroiodide
CID 119152239
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091583
1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
CID 119147546
1-(cyclobutylmethyl)-2-[(2-hydroxy-1-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111751788
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
1-(cyclobutylmethyl)-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722110
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098998
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine (CID 120662388) is 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine is N/C(=N\CC1(C(F)F)CC1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine?
The InChIKey is MYXHFILVFSAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c12-9(13)11(4-5-11)7-16-10(14)15-6-8-2-1-3-8/h8-9H,1-7H2,(H3,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine?
1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine has a molecular weight of 231.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 120662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).