N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane

C10H16N2 — CID 143085196

IUPACN-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane
SMILESC/N=C/N=C1/C=CC=CC1.CC
InChIInChI=1S/C8H10N2.C2H6/c1-9-7-10-8-5-3-2-4-6-8;1-2/h2-5,7H,6H2,1H3;1-2H3/b9-7+,10-8-;
InChIKeyFPIJWGJWTNPHTP-GDESPYIVSA-N
MW164.25 g/mol
LogP2.63
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane

N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane (PubChem CID 143085196) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane
PubChem CID143085196
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane
SMILESC/N=C/N=C1/C=CC=CC1.CC
InChIInChI=1S/C8H10N2.C2H6/c1-9-7-10-8-5-3-2-4-6-8;1-2/h2-5,7H,6H2,1H3;1-2H3/b9-7+,10-8-;
InChIKeyFPIJWGJWTNPHTP-GDESPYIVSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.63
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-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane (CID 143085196) is N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane is C/N=C/N=C1/C=CC=CC1.CC.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane?
The InChIKey is FPIJWGJWTNPHTP-GDESPYIVSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-9-7-10-8-5-3-2-4-6-8;1-2/h2-5,7H,6H2,1H3;1-2H3/b9-7+,10-8-;.
What are the key properties of N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane?
N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane has a molecular weight of 164.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane is sourced from PubChem (CID 143085196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).