1-phenyl-2,3-di(propan-2-yl)guanidine

C13H21N3 — CID 11226187

IUPAC1-phenyl-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/Nc1ccccc1)NC(C)C
InChIInChI=1S/C13H21N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,14,15,16)
InChIKeyJZCZQPUVSJLUME-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds3

About 1-phenyl-2,3-di(propan-2-yl)guanidine

1-phenyl-2,3-di(propan-2-yl)guanidine (PubChem CID 11226187) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-phenyl-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-phenyl-2,3-di(propan-2-yl)guanidine
PubChem CID11226187
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-phenyl-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/Nc1ccccc1)NC(C)C
InChIInChI=1S/C13H21N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,14,15,16)
InChIKeyJZCZQPUVSJLUME-UHFFFAOYSA-N
XLogP2.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
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

(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
CID 71530093
1,2,3-tri(propan-2-yl)guanidine
CID 547015
1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine
CID 121005240
bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)
CID 23231140
2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
CID 10825467
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-phenyl-3-propan-2-ylguanidine
CID 134090951
1-(3-methylbutan-2-yl)-3-phenylthiourea
CID 76615108
1-[(2S)-3-methylbutan-2-yl]-3-phenylthiourea
CID 89162476
1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
CID 116515342
3-phenyl-N,N'-di(propan-2-yl)propanimidamide
CID 102264756
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
CID 100967764
1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1-phenyl-2,3-di(propan-2-yl)guanidine (CID 11226187) is 1-phenyl-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1-phenyl-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1-phenyl-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(/Nc1ccccc1)NC(C)C.
What is the InChIKey of 1-phenyl-2,3-di(propan-2-yl)guanidine?
The InChIKey is JZCZQPUVSJLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,14,15,16).
What are the key properties of 1-phenyl-2,3-di(propan-2-yl)guanidine?
1-phenyl-2,3-di(propan-2-yl)guanidine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 11226187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).