N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine

C13H20N2 — CID 118124176

IUPACN-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
SMILESC/C=C1/C=CCN/C1=C(C)\N=C\CCC
InChIInChI=1S/C13H20N2/c1-4-6-9-14-11(3)13-12(5-2)8-7-10-15-13/h5,7-9,15H,4,6,10H2,1-3H3/b12-5-,13-11-,14-9+
InChIKeyMYRZWXHJYQFUPY-OOPWHZDESA-N
MW204.32 g/mol
LogP3.19
Rot. Bonds3

About N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine

N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine (PubChem CID 118124176) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine.

Molecular Properties

Compound NameN-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
PubChem CID118124176
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
SMILESC/C=C1/C=CCN/C1=C(C)\N=C\CCC
InChIInChI=1S/C13H20N2/c1-4-6-9-14-11(3)13-12(5-2)8-7-10-15-13/h5,7-9,15H,4,6,10H2,1-3H3/b12-5-,13-11-,14-9+
InChIKeyMYRZWXHJYQFUPY-OOPWHZDESA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine?
The IUPAC name of N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine (CID 118124176) is N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine.
What is the SMILES notation for N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine?
The canonical SMILES for N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine is C/C=C1/C=CCN/C1=C(C)\N=C\CCC.
What is the InChIKey of N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine?
The InChIKey is MYRZWXHJYQFUPY-OOPWHZDESA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-9-14-11(3)13-12(5-2)8-7-10-15-13/h5,7-9,15H,4,6,10H2,1-3H3/b12-5-,13-11-,14-9+.
What are the key properties of N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine?
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine has a molecular weight of 204.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine is sourced from PubChem (CID 118124176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).