N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine

C11H18N2 — CID 156509479

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine
SMILESC=C/C(C)=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C11H18N2/c1-5-10(3)12-11-6-7-13(4)8-9(11)2/h5H,1,6-8H2,2-4H3/b12-10+
InChIKeyJSORCDVVIXBFPR-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds2

About N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine (PubChem CID 156509479) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine
PubChem CID156509479
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine
SMILESC=C/C(C)=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C11H18N2/c1-5-10(3)12-11-6-7-13(4)8-9(11)2/h5H,1,6-8H2,2-4H3/b12-10+
InChIKeyJSORCDVVIXBFPR-ZRDIBKRKSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine (CID 156509479) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine is C=C/C(C)=N/C1=C(C)CN(C)CC1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine?
The InChIKey is JSORCDVVIXBFPR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10(3)12-11-6-7-13(4)8-9(11)2/h5H,1,6-8H2,2-4H3/b12-10+.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-imine is sourced from PubChem (CID 156509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).