1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine

C16H28N2 — CID 123634613

IUPAC1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine
SMILESC=C(C=CC(=C)C(C)(C)C)CN1CCN(C)CC1
InChIInChI=1S/C16H28N2/c1-14(7-8-15(2)16(3,4)5)13-18-11-9-17(6)10-12-18/h7-8H,1-2,9-13H2,3-6H3
InChIKeyQSDBMLZTDQORIO-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.95
Rot. Bonds4

About 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine

1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine (PubChem CID 123634613) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine
PubChem CID123634613
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine
SMILESC=C(C=CC(=C)C(C)(C)C)CN1CCN(C)CC1
InChIInChI=1S/C16H28N2/c1-14(7-8-15(2)16(3,4)5)13-18-11-9-17(6)10-12-18/h7-8H,1-2,9-13H2,3-6H3
InChIKeyQSDBMLZTDQORIO-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine?
The IUPAC name of 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine (CID 123634613) is 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine is C=C(C=CC(=C)C(C)(C)C)CN1CCN(C)CC1.
What is the InChIKey of 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine?
The InChIKey is QSDBMLZTDQORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(7-8-15(2)16(3,4)5)13-18-11-9-17(6)10-12-18/h7-8H,1-2,9-13H2,3-6H3.
What are the key properties of 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine?
1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine is sourced from PubChem (CID 123634613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).