2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide

C18H30IN3O2 — CID 111721864

IUPAC2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(OC)cc1OC1CCCC1.I
InChIInChI=1S/C18H29N3O2.HI/c1-4-21(5-2)18(19)20-13-14-10-11-16(22-3)12-17(14)23-15-8-6-7-9-15;/h10-12,15H,4-9,13H2,1-3H3,(H2,19,20);1H
InChIKeyGCWJNPKXLNNXSK-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.79
Rot. Bonds7

About 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide

2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111721864) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111721864
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC Name2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(OC)cc1OC1CCCC1.I
InChIInChI=1S/C18H29N3O2.HI/c1-4-21(5-2)18(19)20-13-14-10-11-16(22-3)12-17(14)23-15-8-6-7-9-15;/h10-12,15H,4-9,13H2,1-3H3,(H2,19,20);1H
InChIKeyGCWJNPKXLNNXSK-UHFFFAOYSA-N
XLogP3.79
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111721868
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111963778
1,1-diethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111026358
1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051903
2-[[N-butyl-N'-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111963843
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989746
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide (CID 111721864) is 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/Cc1ccc(OC)cc1OC1CCCC1.I.
What is the InChIKey of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is GCWJNPKXLNNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-4-21(5-2)18(19)20-13-14-10-11-16(22-3)12-17(14)23-15-8-6-7-9-15;/h10-12,15H,4-9,13H2,1-3H3,(H2,19,20);1H.
What are the key properties of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide?
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide is sourced from PubChem (CID 111721864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).