1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane

C18H32N2O — CID 144565880

IUPAC1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane
SMILESC=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1.CC
InChIInChI=1S/C16H26N2O.C2H6/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18;1-2/h5-7H,1-3,8-14H2,4H3;1-2H3/b7-6-;
InChIKeyRBUXHKXVWJAVIE-NAFXZHHSSA-N
MW292.47 g/mol
LogP3.13
Rot. Bonds8

About 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane

1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane (PubChem CID 144565880) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane
PubChem CID144565880
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane
SMILESC=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1.CC
InChIInChI=1S/C16H26N2O.C2H6/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18;1-2/h5-7H,1-3,8-14H2,4H3;1-2H3/b7-6-;
InChIKeyRBUXHKXVWJAVIE-NAFXZHHSSA-N
XLogP3.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane?
The IUPAC name of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane (CID 144565880) is 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane.
What is the SMILES notation for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane?
The canonical SMILES for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane is C=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1.CC.
What is the InChIKey of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane?
The InChIKey is RBUXHKXVWJAVIE-NAFXZHHSSA-N. The full InChI is InChI=1S/C16H26N2O.C2H6/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18;1-2/h5-7H,1-3,8-14H2,4H3;1-2H3/b7-6-;.
What are the key properties of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane?
1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane has a molecular weight of 292.47 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine;ethane is sourced from PubChem (CID 144565880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).