N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide

C18H22N2 — CID 145017010

IUPACN-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C)C1=C2C3=C(C=CCC3)CC2CC=C1
InChIInChI=1S/C18H22N2/c1-12(20-13(2)19-3)16-10-6-8-15-11-14-7-4-5-9-17(14)18(15)16/h4,6-7,10,15H,5,8-9,11H2,1-3H3/b19-13+,20-12+
InChIKeyLHLKICVBJCGHRY-JUARGUKUSA-N
MW266.39 g/mol
LogP4.42
Rot. Bonds1

About N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide

N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide (PubChem CID 145017010) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide
PubChem CID145017010
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C)C1=C2C3=C(C=CCC3)CC2CC=C1
InChIInChI=1S/C18H22N2/c1-12(20-13(2)19-3)16-10-6-8-15-11-14-7-4-5-9-17(14)18(15)16/h4,6-7,10,15H,5,8-9,11H2,1-3H3/b19-13+,20-12+
InChIKeyLHLKICVBJCGHRY-JUARGUKUSA-N
XLogP4.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
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-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide?
The IUPAC name of N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide (CID 145017010) is N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide is C/N=C(C)/N=C(\C)C1=C2C3=C(C=CCC3)CC2CC=C1.
What is the InChIKey of N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide?
The InChIKey is LHLKICVBJCGHRY-JUARGUKUSA-N. The full InChI is InChI=1S/C18H22N2/c1-12(20-13(2)19-3)16-10-6-8-15-11-14-7-4-5-9-17(14)18(15)16/h4,6-7,10,15H,5,8-9,11H2,1-3H3/b19-13+,20-12+.
What are the key properties of N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide?
N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide has a molecular weight of 266.39 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide is sourced from PubChem (CID 145017010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).