1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine

C21H39N — CID 166812969

IUPAC1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine
SMILESC=CN1CCCC(C)C1/C(=C\CC)CC(CC)C(C)(C)CC
InChIInChI=1S/C21H39N/c1-8-13-18(16-19(9-2)21(6,7)10-3)20-17(5)14-12-15-22(20)11-4/h11,13,17,19-20H,4,8-10,12,14-16H2,1-3,5-7H3/b18-13-
InChIKeyCCGUEXFEFMGFOO-AQTBWJFISA-N
MW305.55 g/mol
LogP6.42
Rot. Bonds8

About 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine

1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine (PubChem CID 166812969) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine.

Molecular Properties

Compound Name1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine
PubChem CID166812969
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine
SMILESC=CN1CCCC(C)C1/C(=C\CC)CC(CC)C(C)(C)CC
InChIInChI=1S/C21H39N/c1-8-13-18(16-19(9-2)21(6,7)10-3)20-17(5)14-12-15-22(20)11-4/h11,13,17,19-20H,4,8-10,12,14-16H2,1-3,5-7H3/b18-13-
InChIKeyCCGUEXFEFMGFOO-AQTBWJFISA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.42
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-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine?
The IUPAC name of 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine (CID 166812969) is 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine.
What is the SMILES notation for 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine?
The canonical SMILES for 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine is C=CN1CCCC(C)C1/C(=C\CC)CC(CC)C(C)(C)CC.
What is the InChIKey of 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine?
The InChIKey is CCGUEXFEFMGFOO-AQTBWJFISA-N. The full InChI is InChI=1S/C21H39N/c1-8-13-18(16-19(9-2)21(6,7)10-3)20-17(5)14-12-15-22(20)11-4/h11,13,17,19-20H,4,8-10,12,14-16H2,1-3,5-7H3/b18-13-.
What are the key properties of 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine?
1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine has a molecular weight of 305.55 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(Z)-6-ethyl-7,7-dimethylnon-3-en-4-yl]-3-methylpiperidine is sourced from PubChem (CID 166812969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).