1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine

C19H34N2 — CID 79987873

IUPAC1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H34N2/c1-14-9-20-16(2,3)13-21(14)19-8-15-6-17(4,11-19)10-18(5,7-15)12-19/h14-15,20H,6-13H2,1-5H3
InChIKeyMFJXILJYSBZVQV-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.81
Rot. Bonds1

About 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine

1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine (PubChem CID 79987873) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine
PubChem CID79987873
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H34N2/c1-14-9-20-16(2,3)13-21(14)19-8-15-6-17(4,11-19)10-18(5,7-15)12-19/h14-15,20H,6-13H2,1-5H3
InChIKeyMFJXILJYSBZVQV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine (CID 79987873) is 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine?
The InChIKey is MFJXILJYSBZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-14-9-20-16(2,3)13-21(14)19-8-15-6-17(4,11-19)10-18(5,7-15)12-19/h14-15,20H,6-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine?
1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine has a molecular weight of 290.50 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 79987873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).