[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine

C11H18N2 — CID 170069853

IUPAC[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
SMILES[H]/N=C/C1=C(/C(C)=C\C)N(C)CCC1
InChIInChI=1S/C11H18N2/c1-4-9(2)11-10(8-12)6-5-7-13(11)3/h4,8,12H,5-7H2,1-3H3/b9-4-,12-8+
InChIKeyJCAJQWSDKWTSFQ-FIOFKEMQSA-N
MW178.28 g/mol
LogP2.58
Rot. Bonds2

About [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine

[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine (PubChem CID 170069853) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine.

Molecular Properties

Compound Name[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
PubChem CID170069853
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
SMILES[H]/N=C/C1=C(/C(C)=C\C)N(C)CCC1
InChIInChI=1S/C11H18N2/c1-4-9(2)11-10(8-12)6-5-7-13(11)3/h4,8,12H,5-7H2,1-3H3/b9-4-,12-8+
InChIKeyJCAJQWSDKWTSFQ-FIOFKEMQSA-N
XLogP2.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.58
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 [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The IUPAC name of [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine (CID 170069853) is [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine.
What is the SMILES notation for [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The canonical SMILES for [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine is [H]/N=C/C1=C(/C(C)=C\C)N(C)CCC1.
What is the InChIKey of [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The InChIKey is JCAJQWSDKWTSFQ-FIOFKEMQSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9(2)11-10(8-12)6-5-7-13(11)3/h4,8,12H,5-7H2,1-3H3/b9-4-,12-8+.
What are the key properties of [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine?
[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine is sourced from PubChem (CID 170069853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).