5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine

C9H17N — CID 89041208

IUPAC5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C(C)C)NCCC1
InChIInChI=1S/C9H17N/c1-7(2)9-8(3)5-4-6-10-9/h7,10H,4-6H2,1-3H3
InChIKeyGGGMTZYGSSBFKQ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds1

About 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine

5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine (PubChem CID 89041208) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine
PubChem CID89041208
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C(C)C)NCCC1
InChIInChI=1S/C9H17N/c1-7(2)9-8(3)5-4-6-10-9/h7,10H,4-6H2,1-3H3
InChIKeyGGGMTZYGSSBFKQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine (CID 89041208) is 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine is CC1=C(C(C)C)NCCC1.
What is the InChIKey of 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is GGGMTZYGSSBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-8(3)5-4-6-10-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine?
5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 89041208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).