1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

C23H29N3O2 — CID 111813112

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESN/C(=N\CCCOC1CCCc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C23H29N3O2/c24-23(26-20-13-16-28-22-11-4-3-10-19(20)22)25-14-6-15-27-21-12-5-8-17-7-1-2-9-18(17)21/h1-4,7,9-11,20-21H,5-6,8,12-16H2,(H3,24,25,26)
InChIKeyIBWLETPEQDJFBY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.90
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (PubChem CID 111813112) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
PubChem CID111813112
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESN/C(=N\CCCOC1CCCc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C23H29N3O2/c24-23(26-20-13-16-28-22-11-4-3-10-19(20)22)25-14-6-15-27-21-12-5-8-17-7-1-2-9-18(17)21/h1-4,7,9-11,20-21H,5-6,8,12-16H2,(H3,24,25,26)
InChIKeyIBWLETPEQDJFBY-UHFFFAOYSA-N
XLogP3.90
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (CID 111813112) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is N/C(=N\CCCOC1CCCc2ccccc21)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The InChIKey is IBWLETPEQDJFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c24-23(26-20-13-16-28-22-11-4-3-10-19(20)22)25-14-6-15-27-21-12-5-8-17-7-1-2-9-18(17)21/h1-4,7,9-11,20-21H,5-6,8,12-16H2,(H3,24,25,26).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine has a molecular weight of 379.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is sourced from PubChem (CID 111813112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).