2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide

C14H20N2 — CID 123384481

IUPAC2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide
SMILESCC1=CCC(C)=C(/N=C(\N)CC2CC2)C=C1
InChIInChI=1S/C14H20N2/c1-10-3-5-11(2)13(8-4-10)16-14(15)9-12-6-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H2,15,16)
InChIKeyGHNYZMOJMVADIU-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide

2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide (PubChem CID 123384481) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide
PubChem CID123384481
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide
SMILESCC1=CCC(C)=C(/N=C(\N)CC2CC2)C=C1
InChIInChI=1S/C14H20N2/c1-10-3-5-11(2)13(8-4-10)16-14(15)9-12-6-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H2,15,16)
InChIKeyGHNYZMOJMVADIU-UHFFFAOYSA-N
XLogP3.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.32
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 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide (CID 123384481) is 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide is CC1=CCC(C)=C(/N=C(\N)CC2CC2)C=C1.
What is the InChIKey of 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide?
The InChIKey is GHNYZMOJMVADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-3-5-11(2)13(8-4-10)16-14(15)9-12-6-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide?
2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide has a molecular weight of 216.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide is sourced from PubChem (CID 123384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).