1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine

C13H21N — CID 154968951

IUPAC1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2CC3(C)CCC23)CC1
InChIInChI=1S/C13H21N/c1-13-6-3-12(13)11(9-13)10-4-7-14(2)8-5-10/h4,11-12H,3,5-9H2,1-2H3
InChIKeyCVOUUBPUCHJLTH-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.68
Rot. Bonds1

About 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine (PubChem CID 154968951) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine
PubChem CID154968951
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2CC3(C)CCC23)CC1
InChIInChI=1S/C13H21N/c1-13-6-3-12(13)11(9-13)10-4-7-14(2)8-5-10/h4,11-12H,3,5-9H2,1-2H3
InChIKeyCVOUUBPUCHJLTH-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
CID 21474133
dimethylamino-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
CID 135170107
4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide
CID 86280179
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)
CID 162283624
2-[4-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 163623801
1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
CID 178031639
(3aS,3bS,9aR,9bR,11aR)-2-methoxy-4,5,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-7-one
CID 57191609
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
CID 159802692
(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene
CID 163516716
4-(7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 167678389
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine
CID 159763964
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol
CID 20756950

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine (CID 154968951) is 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine is CN1CC=C(C2CC3(C)CCC23)CC1.
What is the InChIKey of 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CVOUUBPUCHJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13-6-3-12(13)11(9-13)10-4-7-14(2)8-5-10/h4,11-12H,3,5-9H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-2-bicyclo[2.2.0]hexanyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 154968951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).