7-(anilinomethyl)naphthalene-2-carboximidamide

C18H17N3 — CID 91042960

IUPAC7-(anilinomethyl)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CNc3ccccc3)cc2c1
InChIInChI=1S/C18H17N3/c19-18(20)15-9-8-14-7-6-13(10-16(14)11-15)12-21-17-4-2-1-3-5-17/h1-11,21H,12H2,(H3,19,20)
InChIKeyNBHFEYBFOSWZPT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.74
Rot. Bonds4

About 7-(anilinomethyl)naphthalene-2-carboximidamide

7-(anilinomethyl)naphthalene-2-carboximidamide (PubChem CID 91042960) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-(anilinomethyl)naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-(anilinomethyl)naphthalene-2-carboximidamide
PubChem CID91042960
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC Name7-(anilinomethyl)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CNc3ccccc3)cc2c1
InChIInChI=1S/C18H17N3/c19-18(20)15-9-8-14-7-6-13(10-16(14)11-15)12-21-17-4-2-1-3-5-17/h1-11,21H,12H2,(H3,19,20)
InChIKeyNBHFEYBFOSWZPT-UHFFFAOYSA-N
XLogP3.74
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.74
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 7-(anilinomethyl)naphthalene-2-carboximidamide?
The IUPAC name of 7-(anilinomethyl)naphthalene-2-carboximidamide (CID 91042960) is 7-(anilinomethyl)naphthalene-2-carboximidamide.
What is the SMILES notation for 7-(anilinomethyl)naphthalene-2-carboximidamide?
The canonical SMILES for 7-(anilinomethyl)naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(CNc3ccccc3)cc2c1.
What is the InChIKey of 7-(anilinomethyl)naphthalene-2-carboximidamide?
The InChIKey is NBHFEYBFOSWZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-18(20)15-9-8-14-7-6-13(10-16(14)11-15)12-21-17-4-2-1-3-5-17/h1-11,21H,12H2,(H3,19,20).
What are the key properties of 7-(anilinomethyl)naphthalene-2-carboximidamide?
7-(anilinomethyl)naphthalene-2-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(anilinomethyl)naphthalene-2-carboximidamide is sourced from PubChem (CID 91042960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).