1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide

C18H30IN3O2 — CID 109400680

IUPAC1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCCCC1.I
InChIInChI=1S/C18H29N3O2.HI/c1-19-18(21-16-9-4-3-5-10-16)20-12-13-23-14-15-8-6-7-11-17(15)22-2;/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H2,19,20,21);1H
InChIKeyIAVBRDPKVZMXIS-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.33
Rot. Bonds7

About 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide

1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide (PubChem CID 109400680) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
PubChem CID109400680
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC Name1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCCCC1.I
InChIInChI=1S/C18H29N3O2.HI/c1-19-18(21-16-9-4-3-5-10-16)20-12-13-23-14-15-8-6-7-11-17(15)22-2;/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H2,19,20,21);1H
InChIKeyIAVBRDPKVZMXIS-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 109404905
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
CID 109404887
1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109401108
1-tert-butyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine
CID 109400727
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 109401434
1-(2-cycloheptyloxyethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111576248
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 109402584
1-cyclopentyl-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110989938
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111763146

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide (CID 109400680) is 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCOCc1ccccc1OC)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is IAVBRDPKVZMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-19-18(21-16-9-4-3-5-10-16)20-12-13-23-14-15-8-6-7-11-17(15)22-2;/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109400680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).