2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide

C12H27IN4 — CID 111096600

IUPAC2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
SMILESCC(C)N(C)CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H26N4.HI/c1-10(2)16(3)8-7-14-12(13)15-9-11-5-4-6-11;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyGWMITDWLTBNPSV-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.65
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide (PubChem CID 111096600) has the molecular formula C12H27IN4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
PubChem CID111096600
Molecular FormulaC12H27IN4
Molecular Weight354.28 g/mol
Exact Mass354.13
IUPAC Name2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
SMILESCC(C)N(C)CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H26N4.HI/c1-10(2)16(3)8-7-14-12(13)15-9-11-5-4-6-11;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyGWMITDWLTBNPSV-UHFFFAOYSA-N
XLogP1.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
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N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
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N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
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2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
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2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
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2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
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2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
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2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide (CID 111096600) is 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide is CC(C)N(C)CCN/C(N)=N/CC1CCC1.I.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is GWMITDWLTBNPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.HI/c1-10(2)16(3)8-7-14-12(13)15-9-11-5-4-6-11;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 354.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111096600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).