ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine

C11H18N2 — CID 143234855

IUPACethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine
SMILESC/C=c1/ccnc/c1=C/NC.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h3-7,10H,1-2H3;1-2H3/b8-3-,9-6-;
InChIKeyYGVHXMOLLKDGLD-TVQZTINYSA-N
MW178.28 g/mol
LogP0.87
Rot. Bonds1

About ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine

ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine (PubChem CID 143234855) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine
PubChem CID143234855
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine
SMILESC/C=c1/ccnc/c1=C/NC.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h3-7,10H,1-2H3;1-2H3/b8-3-,9-6-;
InChIKeyYGVHXMOLLKDGLD-TVQZTINYSA-N
XLogP0.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine?
The IUPAC name of ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine (CID 143234855) is ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine.
What is the SMILES notation for ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine?
The canonical SMILES for ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine is C/C=c1/ccnc/c1=C/NC.CC.
What is the InChIKey of ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine?
The InChIKey is YGVHXMOLLKDGLD-TVQZTINYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h3-7,10H,1-2H3;1-2H3/b8-3-,9-6-;.
What are the key properties of ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine?
ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine is sourced from PubChem (CID 143234855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).