(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine

C12H16N2 — CID 173499145

IUPAC(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine
SMILESC=C/C=C\C(C)=NN1CC=CC=C1C
InChIInChI=1S/C12H16N2/c1-4-5-8-11(2)13-14-10-7-6-9-12(14)3/h4-9H,1,10H2,2-3H3/b8-5-,13-11?
InChIKeyBTHGXRPONFDONU-DBIHJRTBSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds3

About (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine

(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine (PubChem CID 173499145) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine
PubChem CID173499145
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine
SMILESC=C/C=C\C(C)=NN1CC=CC=C1C
InChIInChI=1S/C12H16N2/c1-4-5-8-11(2)13-14-10-7-6-9-12(14)3/h4-9H,1,10H2,2-3H3/b8-5-,13-11?
InChIKeyBTHGXRPONFDONU-DBIHJRTBSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine (CID 173499145) is (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine is C=C/C=C\C(C)=NN1CC=CC=C1C.
What is the InChIKey of (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine?
The InChIKey is BTHGXRPONFDONU-DBIHJRTBSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-8-11(2)13-14-10-7-6-9-12(14)3/h4-9H,1,10H2,2-3H3/b8-5-,13-11?.
What are the key properties of (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine?
(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine has a molecular weight of 188.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine is sourced from PubChem (CID 173499145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).