1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine

C12H17N3 — CID 62364183

IUPAC1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
SMILESCc1ccccc1C/N=C(\N)NC1CC1
InChIInChI=1S/C12H17N3/c1-9-4-2-3-5-10(9)8-14-12(13)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H3,13,14,15)
InChIKeyVBKBAWPWESZWHR-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine

1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine (PubChem CID 62364183) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
PubChem CID62364183
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
SMILESCc1ccccc1C/N=C(\N)NC1CC1
InChIInChI=1S/C12H17N3/c1-9-4-2-3-5-10(9)8-14-12(13)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H3,13,14,15)
InChIKeyVBKBAWPWESZWHR-UHFFFAOYSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methyl]guanidine
CID 103111167
1,2-bis[(2-methylphenyl)methyl]guanidine
CID 19974401
1-cyclopropyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110914065
1-cyclopentyl-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 119146547
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
CID 175917491
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667
1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110026737

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine (CID 62364183) is 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine is Cc1ccccc1C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine?
The InChIKey is VBKBAWPWESZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-4-2-3-5-10(9)8-14-12(13)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine?
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine has a molecular weight of 203.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 62364183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).