1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine

C12H20N4 — CID 116513757

IUPAC1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
SMILESCC(C)(C)C/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C12H20N4/c1-12(2,3)9-14-11(16-13)15-10-7-5-4-6-8-10/h4-8H,9,13H2,1-3H3,(H2,14,15,16)
InChIKeyGVFAVEPEPUYERN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.96
Rot. Bonds2

About 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine

1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine (PubChem CID 116513757) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
PubChem CID116513757
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
SMILESCC(C)(C)C/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C12H20N4/c1-12(2,3)9-14-11(16-13)15-10-7-5-4-6-8-10/h4-8H,9,13H2,1-3H3,(H2,14,15,16)
InChIKeyGVFAVEPEPUYERN-UHFFFAOYSA-N
XLogP1.96
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296456
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
3-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
CID 106098948
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-2-[(4-bromothiophen-2-yl)methyl]-3-phenylguanidine
CID 116515626
1-amino-2-[(3-ethylthiophen-2-yl)methyl]-3-phenylguanidine
CID 116516017
1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
CID 134111374
1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
CID 116511182

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine (CID 116513757) is 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine is CC(C)(C)C/N=C(\NN)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine?
The InChIKey is GVFAVEPEPUYERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2,3)9-14-11(16-13)15-10-7-5-4-6-8-10/h4-8H,9,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine?
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine is sourced from PubChem (CID 116513757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).