2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine

C16H23N3 — CID 110982833

IUPAC2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H23N3/c1-3-12-18-15(17-2)19-13-16(10-7-11-16)14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3,(H2,17,18,19)
InChIKeyZQFOTEAPGGCCMZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine

2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine (PubChem CID 110982833) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine
PubChem CID110982833
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H23N3/c1-3-12-18-15(17-2)19-13-16(10-7-11-16)14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3,(H2,17,18,19)
InChIKeyZQFOTEAPGGCCMZ-UHFFFAOYSA-N
XLogP2.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.46
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-prop-2-enylguanidine
CID 110982827
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982525
2-methyl-1-prop-2-enyl-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111495066
2-methyl-1-prop-2-enyl-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 111495065
N,N-dimethyl-2-[[[(1-phenylcyclopentyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111363744
2-methyl-1-prop-2-enyl-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]guanidine;hydroiodide
CID 110982456
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111857001
2-methyl-1-(2-methylsulfanylethyl)-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111346107
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[(1-phenylcyclopentyl)methyl]-3-prop-2-enylguanidine
CID 111852934
1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 75532682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine (CID 110982833) is 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine?
The InChIKey is ZQFOTEAPGGCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-12-18-15(17-2)19-13-16(10-7-11-16)14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine?
2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine has a molecular weight of 257.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110982833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).