1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine

C13H21N3 — CID 62361429

IUPAC1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine
SMILESCN(CC(C)(C)C)/C(N)=N/c1ccccc1
InChIInChI=1S/C13H21N3/c1-13(2,3)10-16(4)12(14)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15)
InChIKeyJWYUGFGHLOAVPE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.61
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine

1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine (PubChem CID 62361429) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine
PubChem CID62361429
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine
SMILESCN(CC(C)(C)C)/C(N)=N/c1ccccc1
InChIInChI=1S/C13H21N3/c1-13(2,3)10-16(4)12(14)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15)
InChIKeyJWYUGFGHLOAVPE-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.61
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'}

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Related Compounds

1-methyl-1-(2-methylbutyl)-2-phenylguanidine
CID 62363380
1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 62361409
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
CID 105418714
1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361642
1-carbamimidoyl-1-ethyl-2-phenylguanidine
CID 175345301
1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
CID 62362300
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
1-cycloheptyl-1-methyl-2-phenylguanidine
CID 62364038
ethanol;2-phenylguanidine
CID 172840613
2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide
CID 173184422
1-ethyl-1-(2-methylphenyl)-2-phenylguanidine
CID 62362486
bis(2-phenylguanidine);dihydrochloride
CID 160984545

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine (CID 62361429) is 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine is CN(CC(C)(C)C)/C(N)=N/c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine?
The InChIKey is JWYUGFGHLOAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)10-16(4)12(14)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine?
1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine has a molecular weight of 219.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine is sourced from PubChem (CID 62361429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).