1-cycloheptyl-1-methyl-2-phenylguanidine

C15H23N3 — CID 62364038

IUPAC1-cycloheptyl-1-methyl-2-phenylguanidine
SMILESCN(/C(N)=N/c1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H23N3/c1-18(14-11-7-2-3-8-12-14)15(16)17-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H2,16,17)
InChIKeyLXMWHCWDLMZSDS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds2

About 1-cycloheptyl-1-methyl-2-phenylguanidine

1-cycloheptyl-1-methyl-2-phenylguanidine (PubChem CID 62364038) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cycloheptyl-1-methyl-2-phenylguanidine.

Molecular Properties

Compound Name1-cycloheptyl-1-methyl-2-phenylguanidine
PubChem CID62364038
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cycloheptyl-1-methyl-2-phenylguanidine
SMILESCN(/C(N)=N/c1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H23N3/c1-18(14-11-7-2-3-8-12-14)15(16)17-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H2,16,17)
InChIKeyLXMWHCWDLMZSDS-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cycloheptyl-1-methyl-2-phenylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-methyl-2-phenylguanidine
CID 62361395
N-methyl-N-phenyldiazenylcyclohexanamine
CID 134985462
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
[2-(2-ethylanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate
CID 9423664
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate
CID 9457485
[2-(3-methylanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate
CID 9456986
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
1-cyclooctyl-1-methylurea
CID 126989312
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
CID 62889862
1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
CID 23318357

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-methyl-2-phenylguanidine?
The IUPAC name of 1-cycloheptyl-1-methyl-2-phenylguanidine (CID 62364038) is 1-cycloheptyl-1-methyl-2-phenylguanidine.
What is the SMILES notation for 1-cycloheptyl-1-methyl-2-phenylguanidine?
The canonical SMILES for 1-cycloheptyl-1-methyl-2-phenylguanidine is CN(/C(N)=N/c1ccccc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-methyl-2-phenylguanidine?
The InChIKey is LXMWHCWDLMZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18(14-11-7-2-3-8-12-14)15(16)17-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H2,16,17).
What are the key properties of 1-cycloheptyl-1-methyl-2-phenylguanidine?
1-cycloheptyl-1-methyl-2-phenylguanidine has a molecular weight of 245.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-methyl-2-phenylguanidine is sourced from PubChem (CID 62364038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).