5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine

C18H37N3 — CID 54279970

IUPAC5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCNCCN1CCNCC1
InChIInChI=1S/C18H37N3/c1-17(2,3)16-18(4,5)8-6-7-9-19-10-13-21-14-11-20-12-15-21/h6-7,19-20H,8-16H2,1-5H3
InChIKeyRQCZGEXAZCOIDB-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.89
Rot. Bonds8

About 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine

5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine (PubChem CID 54279970) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine
PubChem CID54279970
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCNCCN1CCNCC1
InChIInChI=1S/C18H37N3/c1-17(2,3)16-18(4,5)8-6-7-9-19-10-13-21-14-11-20-12-15-21/h6-7,19-20H,8-16H2,1-5H3
InChIKeyRQCZGEXAZCOIDB-UHFFFAOYSA-N
XLogP2.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine?
The IUPAC name of 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine (CID 54279970) is 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine.
What is the SMILES notation for 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine?
The canonical SMILES for 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine is CC(C)(C)CC(C)(C)CC=CCNCCN1CCNCC1.
What is the InChIKey of 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine?
The InChIKey is RQCZGEXAZCOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-17(2,3)16-18(4,5)8-6-7-9-19-10-13-21-14-11-20-12-15-21/h6-7,19-20H,8-16H2,1-5H3.
What are the key properties of 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine?
5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-N-(2-piperazin-1-ylethyl)oct-2-en-1-amine is sourced from PubChem (CID 54279970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).