3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine

C15H23N — CID 123886336

IUPAC3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine
SMILESC=C1CC=CN=C1C(=C)CCCCC(C)C
InChIInChI=1S/C15H23N/c1-12(2)8-5-6-9-13(3)15-14(4)10-7-11-16-15/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyYHSYJRHRAYBWHJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.67
Rot. Bonds6

About 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine

3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine (PubChem CID 123886336) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine.

Molecular Properties

Compound Name3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine
PubChem CID123886336
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine
SMILESC=C1CC=CN=C1C(=C)CCCCC(C)C
InChIInChI=1S/C15H23N/c1-12(2)8-5-6-9-13(3)15-14(4)10-7-11-16-15/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyYHSYJRHRAYBWHJ-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
CID 89163833
4-Hexyl-2,3,5-trimethyl-3,4-dihydropyridine
CID 90075443
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
6-ethyl-2-propan-2-yl-4,5-dihydro-3H-azepine
CID 90968428
2-Methyl-5-propan-2-yl-3,4-dihydropyridine
CID 91109282
2-propan-2-yl-3-propan-2-ylidene-4H-pyridine
CID 118941642
N-[(1Z)-buta-1,3-dienyl]-4-pentyldec-1-en-3-imine
CID 126626544

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine?
The IUPAC name of 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine (CID 123886336) is 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine.
What is the SMILES notation for 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine?
The canonical SMILES for 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine is C=C1CC=CN=C1C(=C)CCCCC(C)C.
What is the InChIKey of 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine?
The InChIKey is YHSYJRHRAYBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)8-5-6-9-13(3)15-14(4)10-7-11-16-15/h7,11-12H,3-6,8-10H2,1-2H3.
What are the key properties of 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine?
3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine has a molecular weight of 217.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(7-methyloct-1-en-2-yl)-4H-pyridine is sourced from PubChem (CID 123886336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).