2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene

C19H34N2 — CID 142106531

IUPAC2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene
SMILESC=CC.CC.CC1=CC=C(N2CCN(C)CC2C)C=CC1
InChIInChI=1S/C14H22N2.C3H6.C2H6/c1-12-5-4-6-14(8-7-12)16-10-9-15(3)11-13(16)2;1-3-2;1-2/h4,6-8,13H,5,9-11H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyZZKVNMCWOJSHHR-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds1

About 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene

2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene (PubChem CID 142106531) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene
PubChem CID142106531
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene
SMILESC=CC.CC.CC1=CC=C(N2CCN(C)CC2C)C=CC1
InChIInChI=1S/C14H22N2.C3H6.C2H6/c1-12-5-4-6-14(8-7-12)16-10-9-15(3)11-13(16)2;1-3-2;1-2/h4,6-8,13H,5,9-11H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyZZKVNMCWOJSHHR-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene?
The IUPAC name of 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene (CID 142106531) is 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene?
The canonical SMILES for 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene is C=CC.CC.CC1=CC=C(N2CCN(C)CC2C)C=CC1.
What is the InChIKey of 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene?
The InChIKey is ZZKVNMCWOJSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C3H6.C2H6/c1-12-5-4-6-14(8-7-12)16-10-9-15(3)11-13(16)2;1-3-2;1-2/h4,6-8,13H,5,9-11H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene?
2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene has a molecular weight of 290.50 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane;prop-1-ene is sourced from PubChem (CID 142106531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).