1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine

C16H25N3 — CID 110967358

IUPAC1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(/NC1CC1c1ccccc1)NC(C)(C)C
InChIInChI=1S/C16H25N3/c1-5-17-15(19-16(2,3)4)18-14-11-13(14)12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H2,17,18,19)
InChIKeyJAAMYIVXDWEUMF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.90
Rot. Bonds3

About 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine

1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 110967358) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID110967358
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(/NC1CC1c1ccccc1)NC(C)(C)C
InChIInChI=1S/C16H25N3/c1-5-17-15(19-16(2,3)4)18-14-11-13(14)12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H2,17,18,19)
InChIKeyJAAMYIVXDWEUMF-UHFFFAOYSA-N
XLogP2.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.90
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'}

Analyze 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine 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

1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
N-tert-butyl-2-[[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111378787
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111000173
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
2-ethyl-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111382488
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine (CID 110967358) is 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine is CC/N=C(/NC1CC1c1ccccc1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is JAAMYIVXDWEUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-17-15(19-16(2,3)4)18-14-11-13(14)12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine?
1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 110967358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).