1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine

C14H21N3 — CID 79350479

IUPAC1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
SMILESCC1(C)C(/N=C(\N)Nc2ccccc2)C1(C)C
InChIInChI=1S/C14H21N3/c1-13(2)11(14(13,3)4)17-12(15)16-10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H3,15,16,17)
InChIKeyVTJXVCXFKFDARU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds2

About 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine

1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine (PubChem CID 79350479) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
PubChem CID79350479
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
SMILESCC1(C)C(/N=C(\N)Nc2ccccc2)C1(C)C
InChIInChI=1S/C14H21N3/c1-13(2)11(14(13,3)4)17-12(15)16-10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H3,15,16,17)
InChIKeyVTJXVCXFKFDARU-UHFFFAOYSA-N
XLogP2.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
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-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)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

6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
Guanidine, N-cyano-N'-phenyl-N''-(1,2,2-trimethylpropyl)-
CID 3050782
4-Propyl-1,4-dihydroquinazolin-2-amine
CID 44455983
4-Ethyl-1,4-dihydroquinazolin-2-amine
CID 44455986
Bms 182264
CID 195544
N''-Cyclohexyl-N-(2-methylphenyl)guanidine
CID 14771694
3-Cyanoimino(1,2,2-trimethylpropylamino)methylaminobenzonitrile
CID 15728622
Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-
CID 3050781
N-(imino((1-methylethyl)amino)methyl)-N'-phenyl-guanidine
CID 60030535
Naminidil
CID 158438
2-Tert-butyl-1-(2-iodophenyl)guanidine;hydrochloride
CID 14771743
1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856216

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The IUPAC name of 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine (CID 79350479) is 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine is CC1(C)C(/N=C(\N)Nc2ccccc2)C1(C)C.
What is the InChIKey of 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The InChIKey is VTJXVCXFKFDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2)11(14(13,3)4)17-12(15)16-10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H3,15,16,17).
What are the key properties of 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine is sourced from PubChem (CID 79350479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).