1,2-bis(1-adamantyl)imidazolidine

C23H36N2 — CID 66808688

IUPAC1,2-bis(1-adamantyl)imidazolidine
SMILESC1CN(C23CC4CC(CC(C4)C2)C3)C(C23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C23H36N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h15-21,24H,1-14H2
InChIKeySCEFEWSMCHTMLV-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.40
Rot. Bonds2

About 1,2-bis(1-adamantyl)imidazolidine

1,2-bis(1-adamantyl)imidazolidine (PubChem CID 66808688) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1,2-bis(1-adamantyl)imidazolidine.

Molecular Properties

Compound Name1,2-bis(1-adamantyl)imidazolidine
PubChem CID66808688
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1,2-bis(1-adamantyl)imidazolidine
SMILESC1CN(C23CC4CC(CC(C4)C2)C3)C(C23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C23H36N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h15-21,24H,1-14H2
InChIKeySCEFEWSMCHTMLV-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-propan-2-ylpiperazine
CID 64937846
2-(1-adamantyl)aziridine
CID 118589870
1,3-bis(1-adamantyl)imidazolidine;hydrochloride
CID 131637532
1-(1-adamantyl)-3-cyclopropyl-1,4-diazepane
CID 64941689
1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)
CID 118343257
(2R)-2-(1-adamantyl)piperidine
CID 7236721
1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine
CID 64952072
adamantane;1-methyladamantane
CID 53425859
1-(1-tricyclo[3.3.1.03,7]nonanyl)piperazine
CID 54299292
6-azatricyclo[6.1.1.01,6]decane
CID 177199832
4-(1-adamantyl)dioxetane-3,3-diol
CID 153484930
1-(1-adamantyl)-3-butan-2-yl-1,4-diazepane
CID 64941686

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-adamantyl)imidazolidine?
The IUPAC name of 1,2-bis(1-adamantyl)imidazolidine (CID 66808688) is 1,2-bis(1-adamantyl)imidazolidine.
What is the SMILES notation for 1,2-bis(1-adamantyl)imidazolidine?
The canonical SMILES for 1,2-bis(1-adamantyl)imidazolidine is C1CN(C23CC4CC(CC(C4)C2)C3)C(C23CC4CC(CC(C4)C2)C3)N1.
What is the InChIKey of 1,2-bis(1-adamantyl)imidazolidine?
The InChIKey is SCEFEWSMCHTMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h15-21,24H,1-14H2.
What are the key properties of 1,2-bis(1-adamantyl)imidazolidine?
1,2-bis(1-adamantyl)imidazolidine has a molecular weight of 340.56 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-adamantyl)imidazolidine is sourced from PubChem (CID 66808688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).