[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium

C17H31N2O+ — CID 7071750

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
SMILESCC(C)(C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-16(2,3)19-10-15(20)18-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14,19H,4-11H2,1-3H3,(H,18,20)/p+1
InChIKeyIFBVJUOBGAOLQH-UHFFFAOYSA-O
MW279.45 g/mol
LogP1.68
Rot. Bonds4

About [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium

[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium (PubChem CID 7071750) has the molecular formula C17H31N2O+ and a molecular weight of 279.45 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
PubChem CID7071750
Molecular FormulaC17H31N2O+
Molecular Weight279.45 g/mol
Exact Mass279.24
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
SMILESCC(C)(C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-16(2,3)19-10-15(20)18-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14,19H,4-11H2,1-3H3,(H,18,20)/p+1
InChIKeyIFBVJUOBGAOLQH-UHFFFAOYSA-O
XLogP1.68
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-4-hydroxybutanamide
CID 79205151
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
ethyl 4-(1-adamantylmethylcarbamoyl)piperazine-1-carboxylate
CID 22110836
N-(1-adamantylmethyl)-2-(3-chloro-1-adamantyl)acetamide
CID 15998261
N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
CID 61259809
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735075
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803
(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 42554316
N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25362197
N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide
CID 2858736
2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
CID 113274075

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium (CID 7071750) is [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium is CC(C)(C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium?
The InChIKey is IFBVJUOBGAOLQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30N2O/c1-16(2,3)19-10-15(20)18-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-14,19H,4-11H2,1-3H3,(H,18,20)/p+1.
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium?
[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium has a molecular weight of 279.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium is sourced from PubChem (CID 7071750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).