(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

C10H17N — CID 58193783

IUPAC(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CCN[C@H](C1)CC(=C)C
InChIInChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKeyKYKWKMGLAUVRBL-JTQLQIEISA-N
MW151.25 g/mol
LogP2.20
Rot. Bonds2

About (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 58193783) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID58193783
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CCN[C@H](C1)CC(=C)C
InChIInChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKeyKYKWKMGLAUVRBL-JTQLQIEISA-N
XLogP2.20
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
2-Methyl-6-prop-1-enylpiperidine
CID 580067

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 58193783) is (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is CC1=CCN[C@H](C1)CC(=C)C.
What is the InChIKey of (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KYKWKMGLAUVRBL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 58193783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).