2-methyl-5-propyl-1,2,3,6-tetrahydropyridine

C9H17N — CID 90711400

IUPAC2-methyl-5-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1=CCC(C)NC1
InChIInChI=1S/C9H17N/c1-3-4-9-6-5-8(2)10-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyHNXMZZOEJLINJY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine

2-methyl-5-propyl-1,2,3,6-tetrahydropyridine (PubChem CID 90711400) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-5-propyl-1,2,3,6-tetrahydropyridine
PubChem CID90711400
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-5-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1=CCC(C)NC1
InChIInChI=1S/C9H17N/c1-3-4-9-6-5-8(2)10-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyHNXMZZOEJLINJY-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
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

4,5-ditert-butyl-1-propylcyclohexene
CID 59036734
1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone
CID 142996241
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
6-propyl-3,7-dihydro-2H-cyclopenta[c]pyridine
CID 138532966
(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene
CID 174306687
2,6-dimethyl-4-propylcyclohex-3-en-1-amine
CID 123458778
2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
CID 71120419
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine (CID 90711400) is 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine is CCCC1=CCC(C)NC1.
What is the InChIKey of 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HNXMZZOEJLINJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-9-6-5-8(2)10-7-9/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine?
2-methyl-5-propyl-1,2,3,6-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 90711400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).