1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide

C15H29IN4 — CID 119150158

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(/NC1CCN(C2CC2)C1)NC1CC1(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-4-16-14(18-13-9-15(13,2)3)17-11-7-8-19(10-11)12-5-6-12;/h11-13H,4-10H2,1-3H3,(H2,16,17,18);1H
InChIKeyYYWWPAXWLZBBEH-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.19
Rot. Bonds4

About 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide

1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide (PubChem CID 119150158) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
PubChem CID119150158
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(/NC1CCN(C2CC2)C1)NC1CC1(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-4-16-14(18-13-9-15(13,2)3)17-11-7-8-19(10-11)12-5-6-12;/h11-13H,4-10H2,1-3H3,(H2,16,17,18);1H
InChIKeyYYWWPAXWLZBBEH-UHFFFAOYSA-N
XLogP2.19
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.19
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

1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
CID 119154000
1-(1-cyclopentylpyrrolidin-3-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109405640
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine
CID 119162284
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylguanidine
CID 119162174
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111919980
1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150767
N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143055
1-cyclopropyl-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318195
N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119130051

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide (CID 119150158) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide is CC/N=C(/NC1CCN(C2CC2)C1)NC1CC1(C)C.I.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide?
The InChIKey is YYWWPAXWLZBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-4-16-14(18-13-9-15(13,2)3)17-11-7-8-19(10-11)12-5-6-12;/h11-13H,4-10H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide?
1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide is sourced from PubChem (CID 119150158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).