2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide

C15H24IN3 — CID 111604528

IUPAC2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NCCC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-2-16-15(17-11-10-13-8-9-13)18-12-14-6-4-3-5-7-14;/h3-7,13H,2,8-12H2,1H3,(H2,16,17,18);1H
InChIKeyKNDFPGAIKYBKTR-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.16
Rot. Bonds6

About 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide

2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide (PubChem CID 111604528) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
PubChem CID111604528
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NCCC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-2-16-15(17-11-10-13-8-9-13)18-12-14-6-4-3-5-7-14;/h3-7,13H,2,8-12H2,1H3,(H2,16,17,18);1H
InChIKeyKNDFPGAIKYBKTR-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-(2-cyclopropylethyl)-3-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111604703
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
2-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604642
2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134664
2-benzyl-1-[2-(tert-butylamino)ethyl]-3-ethylguanidine
CID 111758662
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111783136
2-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyclopropylethyl)-3-ethylguanidine
CID 111604643
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111781787
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111876443
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111783663
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111986014

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide (CID 111604528) is 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ccccc1)NCCC1CC1.I.
What is the InChIKey of 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is KNDFPGAIKYBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-2-16-15(17-11-10-13-8-9-13)18-12-14-6-4-3-5-7-14;/h3-7,13H,2,8-12H2,1H3,(H2,16,17,18);1H.
What are the key properties of 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111604528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).