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

C16H26IN3O — CID 110927667

IUPAC1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCC(C)CCOc1ccccc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C16H25N3O.HI/c1-12(2)9-10-20-15-6-4-3-5-13(15)11-18-16(17)19-14-7-8-14;/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18,19);1H
InChIKeyFVFLOVYPILRZDO-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.30
Rot. Bonds7

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

1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110927667) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID110927667
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCC(C)CCOc1ccccc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C16H25N3O.HI/c1-12(2)9-10-20-15-6-4-3-5-13(15)11-18-16(17)19-14-7-8-14;/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18,19);1H
InChIKeyFVFLOVYPILRZDO-UHFFFAOYSA-N
XLogP3.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.30
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

2-[[2-(3-methylbutoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111090244
1-(3-ethoxypropyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090247
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
1-(4-methoxyphenyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090233
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1,3-diethyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 110927664
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 111141062
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropylguanidine;hydroiodide
CID 111110200
1-ethyl-3-(2-methoxyethyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110940719
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110926580

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide (CID 110927667) is 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide is CC(C)CCOc1ccccc1C/N=C(\N)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is FVFLOVYPILRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-12(2)9-10-20-15-6-4-3-5-13(15)11-18-16(17)19-14-7-8-14;/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110927667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).