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

C15H24IN3 — CID 111134664

IUPAC2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCCc1ccccc1.I
InChIInChI=1S/C15H23N3.HI/c1-2-16-15(18-12-14-8-9-14)17-11-10-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3,(H2,16,17,18);1H
InChIKeyFTLDRKAXXGYPIZ-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.81
Rot. Bonds6

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

2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111134664) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111134664
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCCc1ccccc1.I
InChIInChI=1S/C15H23N3.HI/c1-2-16-15(18-12-14-8-9-14)17-11-10-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3,(H2,16,17,18);1H
InChIKeyFTLDRKAXXGYPIZ-UHFFFAOYSA-N
XLogP2.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.81
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

2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
2-(cyclopropylmethyl)-1-ethyl-3-[2-(3-methylphenyl)ethyl]guanidine
CID 111870615
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134387
1-ethyl-3-(2-phenylethyl)-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111560063
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(2-phenylethyl)guanidine
CID 111789070
methyl 4-[2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111867519
1-ethyl-3-(2-phenylethyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111135529
1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111868451
2-(cyclopropylmethyl)-1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111868408
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111827545
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111133997
2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604528

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide (CID 111134664) is 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CC1CC1)NCCc1ccccc1.I.
What is the InChIKey of 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is FTLDRKAXXGYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-2-16-15(18-12-14-8-9-14)17-11-10-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3,(H2,16,17,18);1H.
What are the key properties of 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide?
2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111134664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).