2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine

C13H19N3O — CID 90644716

IUPAC2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine
SMILESN/C(=N\CCO)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19N3O/c14-13(15-7-8-17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,17H,1-4,7-8H2,(H3,14,15,16)
InChIKeyVCMVENPCUDGFSK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine

2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 90644716) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine
PubChem CID90644716
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine
SMILESN/C(=N\CCO)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19N3O/c14-13(15-7-8-17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,17H,1-4,7-8H2,(H3,14,15,16)
InChIKeyVCMVENPCUDGFSK-UHFFFAOYSA-N
XLogP1.28
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
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 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine (CID 90644716) is 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine is N/C(=N\CCO)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is VCMVENPCUDGFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(15-7-8-17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,17H,1-4,7-8H2,(H3,14,15,16).
What are the key properties of 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine?
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 233.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 90644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).