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

C20H40N2O — CID 143623246

IUPAC1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane
SMILESCC.CC/C(C)=C(\C/C=C\C(C)OC)C(C)N1CCC(N)CC1
InChIInChI=1S/C18H34N2O.C2H6/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20;1-2/h7-8,15-17H,6,9-13,19H2,1-5H3;1-2H3/b8-7-,18-14+;
InChIKeyHHMMSHBDMLLKNT-WMJPICHMSA-N
MW324.55 g/mol
LogP4.53
Rot. Bonds7

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

1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane (PubChem CID 143623246) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane.

Molecular Properties

Compound Name1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane
PubChem CID143623246
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane
SMILESCC.CC/C(C)=C(\C/C=C\C(C)OC)C(C)N1CCC(N)CC1
InChIInChI=1S/C18H34N2O.C2H6/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20;1-2/h7-8,15-17H,6,9-13,19H2,1-5H3;1-2H3/b8-7-,18-14+;
InChIKeyHHMMSHBDMLLKNT-WMJPICHMSA-N
XLogP4.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

1-[1-(2,3-Dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
CID 89293955
3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
CID 123983293
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine
CID 163536028
1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine
CID 143622761
1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine
CID 143623247

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;ethane?
The IUPAC name of 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane (CID 143623246) is 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane.
What is the SMILES notation for 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane?
The canonical SMILES for 1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane is CC.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;ethane?
The InChIKey is HHMMSHBDMLLKNT-WMJPICHMSA-N. The full InChI is InChI=1S/C18H34N2O.C2H6/c1-6-14(2)18(9-7-8-15(3)21-5)16(4)20-12-10-17(19)11-13-20;1-2/h7-8,15-17H,6,9-13,19H2,1-5H3;1-2H3/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;ethane?
1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane has a molecular weight of 324.55 g/mol, XLogP of 4.53, 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;ethane is sourced from PubChem (CID 143623246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).