2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide

C18H17N3 — CID 166992733

IUPAC2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C)cccc2c1
InChIInChI=1S/C18H17N3/c1-11-4-2-5-12-10-13(8-9-14(11)12)15-6-3-7-16(19)17(15)18(20)21/h2-10H,19H2,1H3,(H3,20,21)
InChIKeyPLFWNTDFIWITPN-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.68
Rot. Bonds2

About 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide

2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide (PubChem CID 166992733) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide
PubChem CID166992733
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C)cccc2c1
InChIInChI=1S/C18H17N3/c1-11-4-2-5-12-10-13(8-9-14(11)12)15-6-3-7-16(19)17(15)18(20)21/h2-10H,19H2,1H3,(H3,20,21)
InChIKeyPLFWNTDFIWITPN-UHFFFAOYSA-N
XLogP3.68
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide?
The IUPAC name of 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide (CID 166992733) is 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide?
The canonical SMILES for 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C)cccc2c1.
What is the InChIKey of 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide?
The InChIKey is PLFWNTDFIWITPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-11-4-2-5-12-10-13(8-9-14(11)12)15-6-3-7-16(19)17(15)18(20)21/h2-10H,19H2,1H3,(H3,20,21).
What are the key properties of 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide?
2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide has a molecular weight of 275.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide is sourced from PubChem (CID 166992733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).