1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide

C15H26IN3 — CID 111136184

IUPAC1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCCc1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-4-16-15(18-12-13(2)3)17-11-10-14-8-6-5-7-9-14;/h5-9,13H,4,10-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyAVKYTPVXAVCFNL-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.06
Rot. Bonds6

About 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide

1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111136184) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111136184
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCCc1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-4-16-15(18-12-13(2)3)17-11-10-14-8-6-5-7-9-14;/h5-9,13H,4,10-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyAVKYTPVXAVCFNL-UHFFFAOYSA-N
XLogP3.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111178642
1-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136014
1-ethyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylethyl)guanidine
CID 111135005
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180650
N-[4-[2-[[ethylamino-(2-phenylethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111136364
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111501898
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134664
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136042
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134143
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide (CID 111136184) is 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)C)NCCc1ccccc1.I.
What is the InChIKey of 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is AVKYTPVXAVCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-4-16-15(18-12-13(2)3)17-11-10-14-8-6-5-7-9-14;/h5-9,13H,4,10-12H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111136184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).