1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine

C17H31N — CID 126700284

IUPAC1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine
SMILESC=C(CCC(C)C(=C)N1CCCCC1)C(C)CC
InChIInChI=1S/C17H31N/c1-6-14(2)15(3)10-11-16(4)17(5)18-12-8-7-9-13-18/h14,16H,3,5-13H2,1-2,4H3
InChIKeyZHZKOPMFKIOHNW-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.00
Rot. Bonds7

About 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine

1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine (PubChem CID 126700284) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine
PubChem CID126700284
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine
SMILESC=C(CCC(C)C(=C)N1CCCCC1)C(C)CC
InChIInChI=1S/C17H31N/c1-6-14(2)15(3)10-11-16(4)17(5)18-12-8-7-9-13-18/h14,16H,3,5-13H2,1-2,4H3
InChIKeyZHZKOPMFKIOHNW-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine?
The IUPAC name of 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine (CID 126700284) is 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine.
What is the SMILES notation for 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine?
The canonical SMILES for 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine is C=C(CCC(C)C(=C)N1CCCCC1)C(C)CC.
What is the InChIKey of 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine?
The InChIKey is ZHZKOPMFKIOHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-14(2)15(3)10-11-16(4)17(5)18-12-8-7-9-13-18/h14,16H,3,5-13H2,1-2,4H3.
What are the key properties of 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine?
1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine has a molecular weight of 249.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-6-methylidenenon-1-en-2-yl)piperidine is sourced from PubChem (CID 126700284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).