(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine

C17H27N — CID 155485176

IUPAC(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine
SMILESC=C(C)CCCC/C(C)=C/C=C1/CCCNC1=C
InChIInChI=1S/C17H27N/c1-14(2)8-5-6-9-15(3)11-12-17-10-7-13-18-16(17)4/h11-12,18H,1,4-10,13H2,2-3H3/b15-11+,17-12-
InChIKeyYECDYTFAYHIEPS-GLDUUKHASA-N
MW245.41 g/mol
LogP4.89
Rot. Bonds6

About (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine

(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine (PubChem CID 155485176) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine.

Molecular Properties

Compound Name(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine
PubChem CID155485176
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine
SMILESC=C(C)CCCC/C(C)=C/C=C1/CCCNC1=C
InChIInChI=1S/C17H27N/c1-14(2)8-5-6-9-15(3)11-12-17-10-7-13-18-16(17)4/h11-12,18H,1,4-10,13H2,2-3H3/b15-11+,17-12-
InChIKeyYECDYTFAYHIEPS-GLDUUKHASA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
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 (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine?
The IUPAC name of (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine (CID 155485176) is (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine.
What is the SMILES notation for (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine?
The canonical SMILES for (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine is C=C(C)CCCC/C(C)=C/C=C1/CCCNC1=C.
What is the InChIKey of (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine?
The InChIKey is YECDYTFAYHIEPS-GLDUUKHASA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)8-5-6-9-15(3)11-12-17-10-7-13-18-16(17)4/h11-12,18H,1,4-10,13H2,2-3H3/b15-11+,17-12-.
What are the key properties of (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine?
(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine has a molecular weight of 245.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine is sourced from PubChem (CID 155485176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).