1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide

C14H22IN3O — CID 110029984

IUPAC1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCOCc1ccccc1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C14H21N3O.HI/c1-17(13-7-8-13)14(15)16-9-11-5-3-4-6-12(11)10-18-2;/h3-6,13H,7-10H2,1-2H3,(H2,15,16);1H
InChIKeyKCGSGWFNWGJILM-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.36
Rot. Bonds5

About 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide (PubChem CID 110029984) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
PubChem CID110029984
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCOCc1ccccc1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C14H21N3O.HI/c1-17(13-7-8-13)14(15)16-9-11-5-3-4-6-12(11)10-18-2;/h3-6,13H,7-10H2,1-2H3,(H2,15,16);1H
InChIKeyKCGSGWFNWGJILM-UHFFFAOYSA-N
XLogP2.36
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-methyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110030335
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
1-cyclopropyl-1-methyl-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110030146
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-cyclopropyl-1-methyl-2-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110029664
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide (CID 110029984) is 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide is COCc1ccccc1C/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide?
The InChIKey is KCGSGWFNWGJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.HI/c1-17(13-7-8-13)14(15)16-9-11-5-3-4-6-12(11)10-18-2;/h3-6,13H,7-10H2,1-2H3,(H2,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide has a molecular weight of 375.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).