N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine

C12H18N2 — CID 123534726

IUPACN-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
SMILESCCC=C/C(=N\C)C1=CCC(C)C=N1
InChIInChI=1S/C12H18N2/c1-4-5-6-11(13-3)12-8-7-10(2)9-14-12/h5-6,8-10H,4,7H2,1-3H3/b6-5?,13-11+
InChIKeySHDAXTKFSYMODH-PLYMDNEQSA-N
MW190.29 g/mol
LogP3.02
Rot. Bonds3

About N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine

N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine (PubChem CID 123534726) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
PubChem CID123534726
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
SMILESCCC=C/C(=N\C)C1=CCC(C)C=N1
InChIInChI=1S/C12H18N2/c1-4-5-6-11(13-3)12-8-7-10(2)9-14-12/h5-6,8-10H,4,7H2,1-3H3/b6-5?,13-11+
InChIKeySHDAXTKFSYMODH-PLYMDNEQSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.02
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

(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine
CID 174353090
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
3,5-diethyl-3H-pyrrole
CID 57710494
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
3,4,6-Trimethyl-3,4-dihydropyridine
CID 59701053
2-Methyl-4a,8a-dihydro-1,6-naphthyridine
CID 59984552
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(3S)-3,4,6-trimethyl-3,4-dihydropyridine
CID 68330621

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine?
The IUPAC name of N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine (CID 123534726) is N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine.
What is the SMILES notation for N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine?
The canonical SMILES for N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine is CCC=C/C(=N\C)C1=CCC(C)C=N1.
What is the InChIKey of N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine?
The InChIKey is SHDAXTKFSYMODH-PLYMDNEQSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-5-6-11(13-3)12-8-7-10(2)9-14-12/h5-6,8-10H,4,7H2,1-3H3/b6-5?,13-11+.
What are the key properties of N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine?
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine has a molecular weight of 190.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine is sourced from PubChem (CID 123534726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).