N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine

C11H16N2 — CID 123495116

IUPACN-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)C(C)=NCC1C
InChIInChI=1S/C11H16N2/c1-5-6-12-11-8(2)7-13-10(4)9(11)3/h5-6,8H,1,7H2,2-4H3/b12-6+
InChIKeyAXIWTWVWKUFGPH-WUXMJOGZSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds2

About N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine

N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine (PubChem CID 123495116) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine
PubChem CID123495116
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)C(C)=NCC1C
InChIInChI=1S/C11H16N2/c1-5-6-12-11-8(2)7-13-10(4)9(11)3/h5-6,8H,1,7H2,2-4H3/b12-6+
InChIKeyAXIWTWVWKUFGPH-WUXMJOGZSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
CID 166765756
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
(Z)-N-(3-methylbut-2-en-2-yl)-2-propan-2-ylbut-2-en-1-imine
CID 90926049
N-(3-methylpent-2-en-2-yl)but-2-en-1-imine
CID 91277118
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole
CID 123513203

Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine (CID 123495116) is N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)C(C)=NCC1C.
What is the InChIKey of N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine?
The InChIKey is AXIWTWVWKUFGPH-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-12-11-8(2)7-13-10(4)9(11)3/h5-6,8H,1,7H2,2-4H3/b12-6+.
What are the key properties of N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine?
N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine has a molecular weight of 176.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123495116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).