2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C18H23N3O2 — CID 111819936

IUPAC2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccco1
InChIInChI=1S/C18H23N3O2/c1-18(22,16-10-5-11-23-16)12-20-17(19)21-15-9-4-7-13-6-2-3-8-14(13)15/h4-5,7,9-11,22H,2-3,6,8,12H2,1H3,(H3,19,20,21)
InChIKeyVLHQMXRXQQVGRU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111819936) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111819936
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccco1
InChIInChI=1S/C18H23N3O2/c1-18(22,16-10-5-11-23-16)12-20-17(19)21-15-9-4-7-13-6-2-3-8-14(13)15/h4-5,7,9-11,22H,2-3,6,8,12H2,1H3,(H3,19,20,21)
InChIKeyVLHQMXRXQQVGRU-UHFFFAOYSA-N
XLogP2.79
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111819936) is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is CC(O)(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is VLHQMXRXQQVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(22,16-10-5-11-23-16)12-20-17(19)21-15-9-4-7-13-6-2-3-8-14(13)15/h4-5,7,9-11,22H,2-3,6,8,12H2,1H3,(H3,19,20,21).
What are the key properties of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 313.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111819936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).