2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine

C17H20N4 — CID 119147015

IUPAC2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
SMILESCC1(c2ccccc2)CC(/N=C(\N)Nc2ccccn2)C1
InChIInChI=1S/C17H20N4/c1-17(13-7-3-2-4-8-13)11-14(12-17)20-16(18)21-15-9-5-6-10-19-15/h2-10,14H,11-12H2,1H3,(H3,18,19,20,21)
InChIKeyQMHRBRHUARIZGE-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.93
Rot. Bonds3

About 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine

2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine (PubChem CID 119147015) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
PubChem CID119147015
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
SMILESCC1(c2ccccc2)CC(/N=C(\N)Nc2ccccn2)C1
InChIInChI=1S/C17H20N4/c1-17(13-7-3-2-4-8-13)11-14(12-17)20-16(18)21-15-9-5-6-10-19-15/h2-10,14H,11-12H2,1H3,(H3,18,19,20,21)
InChIKeyQMHRBRHUARIZGE-UHFFFAOYSA-N
XLogP2.93
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine?
The IUPAC name of 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine (CID 119147015) is 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine is CC1(c2ccccc2)CC(/N=C(\N)Nc2ccccn2)C1.
What is the InChIKey of 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine?
The InChIKey is QMHRBRHUARIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-17(13-7-3-2-4-8-13)11-14(12-17)20-16(18)21-15-9-5-6-10-19-15/h2-10,14H,11-12H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine?
2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine has a molecular weight of 280.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119147015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).