1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane

C17H32N2 — CID 144965155

IUPAC1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane
SMILESC=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17;1-2/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3;1-2H3/b8-5-,15-14-;
InChIKeyRBKXKYFGCRTPPQ-ZBUSOPPMSA-N
MW264.46 g/mol
LogP3.98
Rot. Bonds5

About 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane

1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane (PubChem CID 144965155) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane.

Molecular Properties

Compound Name1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane
PubChem CID144965155
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane
SMILESC=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17;1-2/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3;1-2H3/b8-5-,15-14-;
InChIKeyRBKXKYFGCRTPPQ-ZBUSOPPMSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane?
The IUPAC name of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane (CID 144965155) is 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane.
What is the SMILES notation for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane?
The canonical SMILES for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane is C=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1.CC.
What is the InChIKey of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane?
The InChIKey is RBKXKYFGCRTPPQ-ZBUSOPPMSA-N. The full InChI is InChI=1S/C15H26N2.C2H6/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17;1-2/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3;1-2H3/b8-5-,15-14-;.
What are the key properties of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane?
1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane has a molecular weight of 264.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine;ethane is sourced from PubChem (CID 144965155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).