N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide

C15H20N2 — CID 123342243

IUPACN'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide
SMILESCC1=CC(/N=C(\C)N)=CC2CC(C)C=CC=C12
InChIInChI=1S/C15H20N2/c1-10-5-4-6-15-11(2)8-14(17-12(3)16)9-13(15)7-10/h4-6,8-10,13H,7H2,1-3H3,(H2,16,17)
InChIKeyFEECWIVNCPYIJV-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.35
Rot. Bonds1

About N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide

N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide (PubChem CID 123342243) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide
PubChem CID123342243
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide
SMILESCC1=CC(/N=C(\C)N)=CC2CC(C)C=CC=C12
InChIInChI=1S/C15H20N2/c1-10-5-4-6-15-11(2)8-14(17-12(3)16)9-13(15)7-10/h4-6,8-10,13H,7H2,1-3H3,(H2,16,17)
InChIKeyFEECWIVNCPYIJV-UHFFFAOYSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide?
The IUPAC name of N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide (CID 123342243) is N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide.
What is the SMILES notation for N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide?
The canonical SMILES for N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide is CC1=CC(/N=C(\C)N)=CC2CC(C)C=CC=C12.
What is the InChIKey of N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide?
The InChIKey is FEECWIVNCPYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-5-4-6-15-11(2)8-14(17-12(3)16)9-13(15)7-10/h4-6,8-10,13H,7H2,1-3H3,(H2,16,17).
What are the key properties of N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide?
N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide has a molecular weight of 228.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide is sourced from PubChem (CID 123342243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).