1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine

C19H34N2 — CID 79988379

IUPAC1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C23CC4CC(C)(CC(C)(C4)C2)C3)C(C)CN1
InChIInChI=1S/C19H34N2/c1-5-16-10-21(14(2)9-20-16)19-8-15-6-17(3,12-19)11-18(4,7-15)13-19/h14-16,20H,5-13H2,1-4H3
InChIKeyBLTOYLBRUUQCLJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.81
Rot. Bonds2

About 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine

1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine (PubChem CID 79988379) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine
PubChem CID79988379
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C23CC4CC(C)(CC(C)(C4)C2)C3)C(C)CN1
InChIInChI=1S/C19H34N2/c1-5-16-10-21(14(2)9-20-16)19-8-15-6-17(3,12-19)11-18(4,7-15)13-19/h14-16,20H,5-13H2,1-4H3
InChIKeyBLTOYLBRUUQCLJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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)-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine (CID 79988379) is 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine is CCC1CN(C23CC4CC(C)(CC(C)(C4)C2)C3)C(C)CN1.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine?
The InChIKey is BLTOYLBRUUQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-16-10-21(14(2)9-20-16)19-8-15-6-17(3,12-19)11-18(4,7-15)13-19/h14-16,20H,5-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine?
1-(3,5-dimethyl-1-adamantyl)-5-ethyl-2-methylpiperazine has a molecular weight of 290.50 g/mol, XLogP of 3.81, 2 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)-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 79988379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).