1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine

C18H29N3O3 — CID 75532716

IUPAC1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine
SMILESCOCCCN/C(=N\Cc1ccccc1OCCOC)NC1CC1
InChIInChI=1S/C18H29N3O3/c1-22-11-5-10-19-18(21-16-8-9-16)20-14-15-6-3-4-7-17(15)24-13-12-23-2/h3-4,6-7,16H,5,8-14H2,1-2H3,(H2,19,20,21)
InChIKeyXYNIPYCCKZAJQK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.95
Rot. Bonds11

About 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine

1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine (PubChem CID 75532716) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine
PubChem CID75532716
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine
SMILESCOCCCN/C(=N\Cc1ccccc1OCCOC)NC1CC1
InChIInChI=1S/C18H29N3O3/c1-22-11-5-10-19-18(21-16-8-9-16)20-14-15-6-3-4-7-17(15)24-13-12-23-2/h3-4,6-7,16H,5,8-14H2,1-2H3,(H2,19,20,21)
InChIKeyXYNIPYCCKZAJQK-UHFFFAOYSA-N
XLogP1.95
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine (CID 75532716) is 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine is COCCCN/C(=N\Cc1ccccc1OCCOC)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine?
The InChIKey is XYNIPYCCKZAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-22-11-5-10-19-18(21-16-8-9-16)20-14-15-6-3-4-7-17(15)24-13-12-23-2/h3-4,6-7,16H,5,8-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine?
1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine has a molecular weight of 335.45 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 75532716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).