2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine

C15H23N3 — CID 111814614

IUPAC2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCC2CC2)c1
InChIInChI=1S/C15H23N3/c1-11(2)13-4-3-5-14(10-13)18-15(16)17-9-8-12-6-7-12/h3-5,10-12H,6-9H2,1-2H3,(H3,16,17,18)
InChIKeyRLJBYJLLOLGJJA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine

2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111814614) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111814614
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCC2CC2)c1
InChIInChI=1S/C15H23N3/c1-11(2)13-4-3-5-14(10-13)18-15(16)17-9-8-12-6-7-12/h3-5,10-12H,6-9H2,1-2H3,(H3,16,17,18)
InChIKeyRLJBYJLLOLGJJA-UHFFFAOYSA-N
XLogP3.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.34
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-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111034877
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
2-(2-tert-butylsulfinylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111811440
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110018620
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111065554
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111099258
2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine (CID 111814614) is 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CCC2CC2)c1.
What is the InChIKey of 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is RLJBYJLLOLGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)13-4-3-5-14(10-13)18-15(16)17-9-8-12-6-7-12/h3-5,10-12H,6-9H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).