2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine

C16H27N3 — CID 111087970

IUPAC2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
SMILESCc1ccccc1C(C)(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C16H27N3/c1-12(2)10-18-15(17)19-11-16(4,5)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3,(H3,17,18,19)
InChIKeyXAQFCVZNRVTHHS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.83
Rot. Bonds5

About 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine

2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine (PubChem CID 111087970) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
PubChem CID111087970
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
SMILESCc1ccccc1C(C)(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C16H27N3/c1-12(2)10-18-15(17)19-11-16(4,5)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3,(H3,17,18,19)
InChIKeyXAQFCVZNRVTHHS-UHFFFAOYSA-N
XLogP2.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.83
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

2-[2-methyl-2-(3-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111088072
1-(cyclobutylmethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
CID 111087991
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
CID 111087975
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111038501
1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820754
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047522

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine (CID 111087970) is 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine is Cc1ccccc1C(C)(C)C/N=C(\N)NCC(C)C.
What is the InChIKey of 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine?
The InChIKey is XAQFCVZNRVTHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)10-18-15(17)19-11-16(4,5)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3,(H3,17,18,19).
What are the key properties of 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine?
2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine has a molecular weight of 261.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111087970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).