3-methyloct-1-ene;3-methylpyridine

C15H25N — CID 142210059

IUPAC3-methyloct-1-ene;3-methylpyridine
SMILESC=CC(C)CCCCC.Cc1cccnc1
InChIInChI=1S/C9H18.C6H7N/c1-4-6-7-8-9(3)5-2;1-6-3-2-4-7-5-6/h5,9H,2,4,6-8H2,1,3H3;2-5H,1H3
InChIKeyPMKOMFWQURGFIP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.78
Rot. Bonds5

About 3-methyloct-1-ene;3-methylpyridine

3-methyloct-1-ene;3-methylpyridine (PubChem CID 142210059) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyloct-1-ene;3-methylpyridine.

Molecular Properties

Compound Name3-methyloct-1-ene;3-methylpyridine
PubChem CID142210059
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyloct-1-ene;3-methylpyridine
SMILESC=CC(C)CCCCC.Cc1cccnc1
InChIInChI=1S/C9H18.C6H7N/c1-4-6-7-8-9(3)5-2;1-6-3-2-4-7-5-6/h5,9H,2,4,6-8H2,1,3H3;2-5H,1H3
InChIKeyPMKOMFWQURGFIP-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyloct-1-ene;3-methylpyridine?
The IUPAC name of 3-methyloct-1-ene;3-methylpyridine (CID 142210059) is 3-methyloct-1-ene;3-methylpyridine.
What is the SMILES notation for 3-methyloct-1-ene;3-methylpyridine?
The canonical SMILES for 3-methyloct-1-ene;3-methylpyridine is C=CC(C)CCCCC.Cc1cccnc1.
What is the InChIKey of 3-methyloct-1-ene;3-methylpyridine?
The InChIKey is PMKOMFWQURGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C6H7N/c1-4-6-7-8-9(3)5-2;1-6-3-2-4-7-5-6/h5,9H,2,4,6-8H2,1,3H3;2-5H,1H3.
What are the key properties of 3-methyloct-1-ene;3-methylpyridine?
3-methyloct-1-ene;3-methylpyridine has a molecular weight of 219.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloct-1-ene;3-methylpyridine is sourced from PubChem (CID 142210059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).