N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide

C13H16N2 — CID 154981746

IUPACN'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide
SMILESC/C(N)=N\CC1=CC=CC2C=CC=CC12
InChIInChI=1S/C13H16N2/c1-10(14)15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,11,13H,9H2,1H3,(H2,14,15)
InChIKeySTXBAONGWDBOTO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.22
Rot. Bonds2

About N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide

N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide (PubChem CID 154981746) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide
PubChem CID154981746
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide
SMILESC/C(N)=N\CC1=CC=CC2C=CC=CC12
InChIInChI=1S/C13H16N2/c1-10(14)15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,11,13H,9H2,1H3,(H2,14,15)
InChIKeySTXBAONGWDBOTO-UHFFFAOYSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?
The IUPAC name of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide (CID 154981746) is N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide.
What is the SMILES notation for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?
The canonical SMILES for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide is C/C(N)=N\CC1=CC=CC2C=CC=CC12.
What is the InChIKey of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?
The InChIKey is STXBAONGWDBOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(14)15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,11,13H,9H2,1H3,(H2,14,15).
What are the key properties of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?
N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide has a molecular weight of 200.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide is sourced from PubChem (CID 154981746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).