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'}

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Related Compounds

1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
CID 170709309
lithium N-[(3-tert-butylbenzene-6-id-1-yl)methyl]-N-ethylethanamine
CID 57532491
lithium N-[(3-tert-butylbenzene-2-id-1-yl)methyl]-N-ethylethanamine
CID 57533847
1-Methyl-4-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 68393512
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
CID 70264180
1-(4-Methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine
CID 70843754
N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 78016328
1-Methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenylmethyl)piperazine
CID 88124569
1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]piperazine
CID 89832478
1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine
CID 118531565
1-[(E)-3-cyclohexa-1,5-dien-1-ylprop-2-enyl]-4-methylpiperazine
CID 121321823

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).