(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine

C15H25N — CID 88554098

IUPAC(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine
SMILESC=C/C=C\CC(C)C/C=C1\CCCCN1C
InChIInChI=1S/C15H25N/c1-4-5-6-9-14(2)11-12-15-10-7-8-13-16(15)3/h4-6,12,14H,1,7-11,13H2,2-3H3/b6-5-,15-12+
InChIKeyVMFUHBUNHRAIJS-LFUOKFAUSA-N
MW219.37 g/mol
LogP4.14
Rot. Bonds5

About (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine

(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine (PubChem CID 88554098) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine.

Molecular Properties

Compound Name(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine
PubChem CID88554098
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine
SMILESC=C/C=C\CC(C)C/C=C1\CCCCN1C
InChIInChI=1S/C15H25N/c1-4-5-6-9-14(2)11-12-15-10-7-8-13-16(15)3/h4-6,12,14H,1,7-11,13H2,2-3H3/b6-5-,15-12+
InChIKeyVMFUHBUNHRAIJS-LFUOKFAUSA-N
XLogP4.14
TPSA3.24 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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 134982821
CID 134982821
CID 15514600
CID 15514600
CID 69120580
CID 69120580
CID 69139421
CID 69139421
CID 70628816
CID 70628816
CID 129798269
CID 129798269
CID 129883835
CID 129883835
CID 123697465
CID 123697465
CID 134365665
CID 134365665
CID 134365676
CID 134365676
CID 134365702
CID 134365702
CID 134365789
CID 134365789

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine?
The IUPAC name of (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine (CID 88554098) is (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine.
What is the SMILES notation for (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine?
The canonical SMILES for (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine is C=C/C=C\CC(C)C/C=C1\CCCCN1C.
What is the InChIKey of (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine?
The InChIKey is VMFUHBUNHRAIJS-LFUOKFAUSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-9-14(2)11-12-15-10-7-8-13-16(15)3/h4-6,12,14H,1,7-11,13H2,2-3H3/b6-5-,15-12+.
What are the key properties of (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine?
(2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine has a molecular weight of 219.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-[(5Z)-3-methylocta-5,7-dienylidene]piperidine is sourced from PubChem (CID 88554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).