1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine

C18H27N3O2 — CID 110031755

IUPAC1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
SMILESCN(/C(N)=N/Cc1ccc(COC2CCOCC2)cc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-21(16-6-7-16)18(19)20-12-14-2-4-15(5-3-14)13-23-17-8-10-22-11-9-17/h2-5,16-17H,6-13H2,1H3,(H2,19,20)
InChIKeyWMDOUHNKEDTYIH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds6

About 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine

1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine (PubChem CID 110031755) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
PubChem CID110031755
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
SMILESCN(/C(N)=N/Cc1ccc(COC2CCOCC2)cc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-21(16-6-7-16)18(19)20-12-14-2-4-15(5-3-14)13-23-17-8-10-22-11-9-17/h2-5,16-17H,6-13H2,1H3,(H2,19,20)
InChIKeyWMDOUHNKEDTYIH-UHFFFAOYSA-N
XLogP2.29
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
ethyl 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]benzoate
CID 110030507
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 59504749
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029841
3-ethyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384793
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine (CID 110031755) is 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine is CN(/C(N)=N/Cc1ccc(COC2CCOCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine?
The InChIKey is WMDOUHNKEDTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(16-6-7-16)18(19)20-12-14-2-4-15(5-3-14)13-23-17-8-10-22-11-9-17/h2-5,16-17H,6-13H2,1H3,(H2,19,20).
What are the key properties of 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine?
1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine has a molecular weight of 317.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 110031755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).