1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine

C17H25N3O — CID 75512772

IUPAC1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(C)cc1OCC1CC1)NC1CC1
InChIInChI=1S/C17H25N3O/c1-12-3-6-14(16(9-12)21-11-13-4-5-13)10-19-17(18-2)20-15-7-8-15/h3,6,9,13,15H,4-5,7-8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMOCYECUHSRQCEQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine

1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine (PubChem CID 75512772) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine
PubChem CID75512772
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(C)cc1OCC1CC1)NC1CC1
InChIInChI=1S/C17H25N3O/c1-12-3-6-14(16(9-12)21-11-13-4-5-13)10-19-17(18-2)20-15-7-8-15/h3,6,9,13,15H,4-5,7-8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMOCYECUHSRQCEQ-UHFFFAOYSA-N
XLogP2.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine (CID 75512772) is 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine is C/N=C(/NCc1ccc(C)cc1OCC1CC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine?
The InChIKey is MOCYECUHSRQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-3-6-14(16(9-12)21-11-13-4-5-13)10-19-17(18-2)20-15-7-8-15/h3,6,9,13,15H,4-5,7-8,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine?
1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 75512772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).