1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine

C15H30N2 — CID 2845214

IUPAC1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine
SMILESCC(C)=CCCC(C)CCN1CCN(C)CC1
InChIInChI=1S/C15H30N2/c1-14(2)6-5-7-15(3)8-9-17-12-10-16(4)11-13-17/h6,15H,5,7-13H2,1-4H3
InChIKeySKRKKINCKPLLBV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds6

About 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine

1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine (PubChem CID 2845214) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine
PubChem CID2845214
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine
SMILESCC(C)=CCCC(C)CCN1CCN(C)CC1
InChIInChI=1S/C15H30N2/c1-14(2)6-5-7-15(3)8-9-17-12-10-16(4)11-13-17/h6,15H,5,7-13H2,1-4H3
InChIKeySKRKKINCKPLLBV-UHFFFAOYSA-N
XLogP3.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
Cambridge id 5410985
CID 28239625
Cambridge id 5424826
CID 782854
1-Ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
CID 2845760
Cambridge id 5425829
CID 2845835
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926
Cambridge id 5427223
CID 2845934
Cambridge id 5427294
CID 2845938
Cambridge id 5431361
CID 2846179
1-(Butan-2-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881666
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine?
The IUPAC name of 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine (CID 2845214) is 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine is CC(C)=CCCC(C)CCN1CCN(C)CC1.
What is the InChIKey of 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine?
The InChIKey is SKRKKINCKPLLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2)6-5-7-15(3)8-9-17-12-10-16(4)11-13-17/h6,15H,5,7-13H2,1-4H3.
What are the key properties of 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine?
1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloct-6-enyl)-4-methylpiperazine is sourced from PubChem (CID 2845214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).