2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine

C16H26N4 — CID 111073241

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(C2CC2)N(C)C)cc1C
InChIInChI=1S/C16H26N4/c1-11-5-8-14(9-12(11)2)19-16(17)18-10-15(20(3)4)13-6-7-13/h5,8-9,13,15H,6-7,10H2,1-4H3,(H3,17,18,19)
InChIKeyIVFBXRKUAFVKEM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine (PubChem CID 111073241) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
PubChem CID111073241
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(C2CC2)N(C)C)cc1C
InChIInChI=1S/C16H26N4/c1-11-5-8-14(9-12(11)2)19-16(17)18-10-15(20(3)4)13-6-7-13/h5,8-9,13,15H,6-7,10H2,1-4H3,(H3,17,18,19)
InChIKeyIVFBXRKUAFVKEM-UHFFFAOYSA-N
XLogP2.37
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111073266
1-(3,4-dimethylphenyl)-2-(2-ethylbutyl)guanidine
CID 111800614
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599290
2-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111056501
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111056225
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111056168
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111822828
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111027998
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
2-(2-cyclopropylsulfonylethyl)-1-(3,4-dimethylphenyl)guanidine
CID 122099318
1-(3,4-dimethylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042515

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine (CID 111073241) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine is Cc1ccc(N/C(N)=N/CC(C2CC2)N(C)C)cc1C.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine?
The InChIKey is IVFBXRKUAFVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-5-8-14(9-12(11)2)19-16(17)18-10-15(20(3)4)13-6-7-13/h5,8-9,13,15H,6-7,10H2,1-4H3,(H3,17,18,19).
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine has a molecular weight of 274.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine is sourced from PubChem (CID 111073241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).