2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

C17H20N4 — CID 143973524

IUPAC2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESC/N=C(\N)NC1CCc2c(cccc2-c2ccncc2)C1
InChIInChI=1S/C17H20N4/c1-19-17(18)21-14-5-6-16-13(11-14)3-2-4-15(16)12-7-9-20-10-8-12/h2-4,7-10,14H,5-6,11H2,1H3,(H3,18,19,21)
InChIKeyYXXVYFBTQDZGBF-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.14
Rot. Bonds2

About 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 143973524) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
PubChem CID143973524
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESC/N=C(\N)NC1CCc2c(cccc2-c2ccncc2)C1
InChIInChI=1S/C17H20N4/c1-19-17(18)21-14-5-6-16-13(11-14)3-2-4-15(16)12-7-9-20-10-8-12/h2-4,7-10,14H,5-6,11H2,1H3,(H3,18,19,21)
InChIKeyYXXVYFBTQDZGBF-UHFFFAOYSA-N
XLogP2.14
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.14
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 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (CID 143973524) is 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is C/N=C(\N)NC1CCc2c(cccc2-c2ccncc2)C1.
What is the InChIKey of 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is YXXVYFBTQDZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-19-17(18)21-14-5-6-16-13(11-14)3-2-4-15(16)12-7-9-20-10-8-12/h2-4,7-10,14H,5-6,11H2,1H3,(H3,18,19,21).
What are the key properties of 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 280.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 143973524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).