1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide

C15H24IN3O — CID 110918465

IUPAC1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCC(C)COc1cccc(C/N=C(\N)NC2CC2)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-11(2)10-19-14-5-3-4-12(8-14)9-17-15(16)18-13-6-7-13;/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyXSGDKBBXMLDRHV-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.91
Rot. Bonds6

About 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide

1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110918465) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID110918465
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCC(C)COc1cccc(C/N=C(\N)NC2CC2)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-11(2)10-19-14-5-3-4-12(8-14)9-17-15(16)18-13-6-7-13;/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyXSGDKBBXMLDRHV-UHFFFAOYSA-N
XLogP2.91
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
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-3-ethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110987932
2-[[3-(2-methylpropoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111082142
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111190300
ethyl 4-[[N'-[[3-(2,2-difluoroethoxy)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111097990
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 111082128
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082129
1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
ethyl 4-[[N'-[(3-butoxyphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111049528
2-[(3-ethoxyphenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111049424
1-cyclopropyl-3-ethyl-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 110988349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide (CID 110918465) is 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide is CC(C)COc1cccc(C/N=C(\N)NC2CC2)c1.I.
What is the InChIKey of 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is XSGDKBBXMLDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-11(2)10-19-14-5-3-4-12(8-14)9-17-15(16)18-13-6-7-13;/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110918465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).