1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine

C13H24N4 — CID 119153886

IUPAC1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N4/c1-14-13(15-10-3-2-4-10)16-11-7-8-17(9-11)12-5-6-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyXVUKHRYLGHHBOA-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.94
Rot. Bonds3

About 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine (PubChem CID 119153886) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
PubChem CID119153886
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N4/c1-14-13(15-10-3-2-4-10)16-11-7-8-17(9-11)12-5-6-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyXVUKHRYLGHHBOA-UHFFFAOYSA-N
XLogP0.94
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.94
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'}

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Related Compounds

1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
CID 119154000
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylguanidine
CID 119162174
N-cyclohexyl-3-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111919824
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 119150073
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119150604
1-(1-cyclopentylpyrrolidin-3-yl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methylguanidine
CID 119162346

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine (CID 119153886) is 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine is C/N=C(\NC1CCC1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The InChIKey is XVUKHRYLGHHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-14-13(15-10-3-2-4-10)16-11-7-8-17(9-11)12-5-6-12/h10-12H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine has a molecular weight of 236.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 119153886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).