6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen

C15H27N — CID 176954534

IUPAC6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen
SMILESC=C(/C=C\C1=C(C)NCCC1)CCCCC.[H][H]
InChIInChI=1S/C15H25N.H2/c1-4-5-6-8-13(2)10-11-15-9-7-12-16-14(15)3;/h10-11,16H,2,4-9,12H2,1,3H3;1H/b11-10-;
InChIKeyFLQRZFIZDFRWNZ-GMFCBQQYSA-N
MW221.39 g/mol
LogP4.58
Rot. Bonds6

About 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen

6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen (PubChem CID 176954534) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen
PubChem CID176954534
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen
SMILESC=C(/C=C\C1=C(C)NCCC1)CCCCC.[H][H]
InChIInChI=1S/C15H25N.H2/c1-4-5-6-8-13(2)10-11-15-9-7-12-16-14(15)3;/h10-11,16H,2,4-9,12H2,1,3H3;1H/b11-10-;
InChIKeyFLQRZFIZDFRWNZ-GMFCBQQYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylideneundec-2-ene
CID 13425645
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
octadecanoic acid;pyrrolidin-2-one;zinc
CID 67236635
1-chloro-2-methyl-3-[(Z)-3-methylideneoct-1-enyl]benzene
CID 167065428
(Z)-4-methylidenenon-2-en-1-amine
CID 129022614
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
(E)-6-methylidenetetradec-7-ene
CID 101198488
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439
(E)-4-methylideneoctadec-2-enoic acid
CID 87396066
3-methylidenetridec-1-ene
CID 3776253
hexadecane;pyrrolidin-2-one
CID 158475613
6-[(1E)-2-chlorobuta-1,3-dienyl]-7-methyl-2,3,4,5-tetrahydro-1H-azepine
CID 143188889

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen?
The IUPAC name of 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen (CID 176954534) is 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen.
What is the SMILES notation for 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen?
The canonical SMILES for 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen is C=C(/C=C\C1=C(C)NCCC1)CCCCC.[H][H].
What is the InChIKey of 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen?
The InChIKey is FLQRZFIZDFRWNZ-GMFCBQQYSA-N. The full InChI is InChI=1S/C15H25N.H2/c1-4-5-6-8-13(2)10-11-15-9-7-12-16-14(15)3;/h10-11,16H,2,4-9,12H2,1,3H3;1H/b11-10-;.
What are the key properties of 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen?
6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen has a molecular weight of 221.39 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen is sourced from PubChem (CID 176954534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).