4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine

C12H20N2 — CID 123446877

IUPAC4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCN1CCC(C)=C(C=C)C1
InChIInChI=1S/C12H20N2/c1-4-12-9-14(7-5-10(12)2)8-6-11(3)13/h4,13H,1,5-9H2,2-3H3/b13-11+
InChIKeyBLAGYKNBTDTHPX-ACCUITESSA-N
MW192.31 g/mol
LogP2.62
Rot. Bonds4

About 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine

4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine (PubChem CID 123446877) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine.

Molecular Properties

Compound Name4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
PubChem CID123446877
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCN1CCC(C)=C(C=C)C1
InChIInChI=1S/C12H20N2/c1-4-12-9-14(7-5-10(12)2)8-6-11(3)13/h4,13H,1,5-9H2,2-3H3/b13-11+
InChIKeyBLAGYKNBTDTHPX-ACCUITESSA-N
XLogP2.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-(pyrrolidin-1-ylmethyl)hepta-3,5-dien-2-imine
CID 117718962
3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
CID 123750276
2,2,5-Trimethyl-1,3,4,8-tetrahydroisoquinolin-2-ium-7-imine
CID 163419716
5-imino-4-N-methyl-4-N-(3-methylbut-2-enyl)cyclohexa-1,3-diene-1,4-diamine
CID 164112653
6-imino-N,N,3,4-tetramethylcyclohexa-2,4-dien-1-amine
CID 164169978
(4Z)-N-ethyl-3-imino-N-propylhepta-4,6-dien-1-amine
CID 141921813
3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
CID 144627063
(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine
CID 144720422
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 177225549

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine?
The IUPAC name of 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine (CID 123446877) is 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine.
What is the SMILES notation for 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine?
The canonical SMILES for 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine is [H]/N=C(\C)CCN1CCC(C)=C(C=C)C1.
What is the InChIKey of 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine?
The InChIKey is BLAGYKNBTDTHPX-ACCUITESSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12-9-14(7-5-10(12)2)8-6-11(3)13/h4,13H,1,5-9H2,2-3H3/b13-11+.
What are the key properties of 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine?
4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine has a molecular weight of 192.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine is sourced from PubChem (CID 123446877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).