[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

C20H36N3O2+ — CID 8795996

IUPAC[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-5-23(12-17(24)21-19(2,3)4)13-18(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25)/p+1
InChIKeyYTZMVRNJSFZTEX-UHFFFAOYSA-O
MW350.53 g/mol
LogP0.89
Rot. Bonds6

About [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8795996) has the molecular formula C20H36N3O2+ and a molecular weight of 350.53 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
PubChem CID8795996
Molecular FormulaC20H36N3O2+
Molecular Weight350.53 g/mol
Exact Mass350.28
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-5-23(12-17(24)21-19(2,3)4)13-18(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25)/p+1
InChIKeyYTZMVRNJSFZTEX-UHFFFAOYSA-O
XLogP0.89
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795359
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8767271
4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297911
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)nonanamide
CID 4685611
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
N-(1-adamantyl)-3-(ethylamino)butanamide
CID 62838414
1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
CID 107866668
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8796431

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (CID 8795996) is [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)NC(C)(C)C)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is YTZMVRNJSFZTEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H35N3O2/c1-5-23(12-17(24)21-19(2,3)4)13-18(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 350.53 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8795996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).