2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine

C13H20N4 — CID 122098863

IUPAC2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine
SMILESCC(C)C1(C)CC1/N=C(\N)Nc1ccccn1
InChIInChI=1S/C13H20N4/c1-9(2)13(3)8-10(13)16-12(14)17-11-6-4-5-7-15-11/h4-7,9-10H,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyIMBXKDHTCLRHNV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine

2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine (PubChem CID 122098863) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine
PubChem CID122098863
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine
SMILESCC(C)C1(C)CC1/N=C(\N)Nc1ccccn1
InChIInChI=1S/C13H20N4/c1-9(2)13(3)8-10(13)16-12(14)17-11-6-4-5-7-15-11/h4-7,9-10H,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyIMBXKDHTCLRHNV-UHFFFAOYSA-N
XLogP2.24
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
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

2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 120514493
2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
CID 119147015
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
CID 120679860
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
pyridin-2-ylthiourea
CID 1490491
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834
methanol;N-methylpyridin-2-amine
CID 174971654

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine?
The IUPAC name of 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine (CID 122098863) is 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine is CC(C)C1(C)CC1/N=C(\N)Nc1ccccn1.
What is the InChIKey of 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine?
The InChIKey is IMBXKDHTCLRHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)13(3)8-10(13)16-12(14)17-11-6-4-5-7-15-11/h4-7,9-10H,8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine?
2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine has a molecular weight of 232.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine is sourced from PubChem (CID 122098863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).