ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide

C11H20N2 — CID 143085250

IUPACethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide
SMILESC/C=C\C=C/C(C)=N/C=N/C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-6-7-9(2)11-8-10-3;1-2/h4-8H,1-3H3;1-2H3/b5-4-,7-6-,10-8+,11-9+;
InChIKeyVERGVFJGHWJZEX-MAAXHVBPSA-N
MW180.29 g/mol
LogP3.26
Rot. Bonds3

About ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide

ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide (PubChem CID 143085250) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide
PubChem CID143085250
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide
SMILESC/C=C\C=C/C(C)=N/C=N/C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-6-7-9(2)11-8-10-3;1-2/h4-8H,1-3H3;1-2H3/b5-4-,7-6-,10-8+,11-9+;
InChIKeyVERGVFJGHWJZEX-MAAXHVBPSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.26
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide?
The IUPAC name of ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide (CID 143085250) is ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide.
What is the SMILES notation for ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide?
The canonical SMILES for ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide is C/C=C\C=C/C(C)=N/C=N/C.CC.
What is the InChIKey of ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide?
The InChIKey is VERGVFJGHWJZEX-MAAXHVBPSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-5-6-7-9(2)11-8-10-3;1-2/h4-8H,1-3H3;1-2H3/b5-4-,7-6-,10-8+,11-9+;.
What are the key properties of ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide?
ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 143085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).