1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine

C18H34N2O — CID 143623247

IUPAC1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine
SMILESCC/C(C)=C(\C/C=C\C(C)OC)C(C)N1CCC(N)CC1
InChIInChI=1S/C18H34N2O/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20/h7-8,15-17H,6,9-13,19H2,1-5H3/b8-7-,18-14+
InChIKeyXXOFZBKMDCQDJQ-SHSUVNCQSA-N
MW294.48 g/mol
LogP3.51
Rot. Bonds7

About 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine

1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine (PubChem CID 143623247) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine
PubChem CID143623247
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine
SMILESCC/C(C)=C(\C/C=C\C(C)OC)C(C)N1CCC(N)CC1
InChIInChI=1S/C18H34N2O/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20/h7-8,15-17H,6,9-13,19H2,1-5H3/b8-7-,18-14+
InChIKeyXXOFZBKMDCQDJQ-SHSUVNCQSA-N
XLogP3.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine?
The IUPAC name of 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine (CID 143623247) is 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine is CC/C(C)=C(\C/C=C\C(C)OC)C(C)N1CCC(N)CC1.
What is the InChIKey of 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine?
The InChIKey is XXOFZBKMDCQDJQ-SHSUVNCQSA-N. The full InChI is InChI=1S/C18H34N2O/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20/h7-8,15-17H,6,9-13,19H2,1-5H3/b8-7-,18-14+.
What are the key properties of 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine?
1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine has a molecular weight of 294.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine is sourced from PubChem (CID 143623247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).