6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine

C9H17N — CID 90160942

IUPAC6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CC(C(C)C)CN1
InChIInChI=1S/C9H17N/c1-7(2)9-5-4-8(3)10-6-9/h4-5,7-10H,6H2,1-3H3
InChIKeyNFXLFCYZNPIPHG-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.81
Rot. Bonds1

About 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine

6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 90160942) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID90160942
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CC(C(C)C)CN1
InChIInChI=1S/C9H17N/c1-7(2)9-5-4-8(3)10-6-9/h4-5,7-10H,6H2,1-3H3
InChIKeyNFXLFCYZNPIPHG-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 90160942) is 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine is CC1C=CC(C(C)C)CN1.
What is the InChIKey of 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is NFXLFCYZNPIPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-5-4-8(3)10-6-9/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine?
6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 90160942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).