2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium

C16H29N2O2+ — CID 3921193

IUPAC2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O2/c1-18(2)3-4-20-15(19)17-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1
InChIKeyUIDYWHJVSWUIPQ-UHFFFAOYSA-O
MW281.42 g/mol
LogP1.07
Rot. Bonds5

About 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium

2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium (PubChem CID 3921193) has the molecular formula C16H29N2O2+ and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium
PubChem CID3921193
Molecular FormulaC16H29N2O2+
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O2/c1-18(2)3-4-20-15(19)17-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1
InChIKeyUIDYWHJVSWUIPQ-UHFFFAOYSA-O
XLogP1.07
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-[2-[2-(dimethylazaniumyl)ethoxy]-2-oxoethyl]-1-adamantyl]acetyl]oxyethyl-dimethylazanium
CID 4288274
2-(1-adamantyl)ethyl N-ethylcarbamate
CID 5173684
[2-(1-adamantylmethylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8799729
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78780282
2-[2-[2-[4-(1-adamantylmethylamino)-4-oxobutanoyl]oxyethoxy]ethoxy]ethyl 4-(1-adamantylmethylamino)-4-oxobutanoate
CID 123176729
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
ethyl 4-(1-adamantylmethylcarbamoyl)piperazine-1-carboxylate
CID 22110836
1-(1-adamantylmethyl)-3-(2,2-dimethoxyethyl)urea
CID 108870433
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
CID 7071750
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium?
The IUPAC name of 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium (CID 3921193) is 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium.
What is the SMILES notation for 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium?
The canonical SMILES for 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium is C[NH+](C)CCOC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium?
The InChIKey is UIDYWHJVSWUIPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H28N2O2/c1-18(2)3-4-20-15(19)17-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1.
What are the key properties of 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium?
2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium has a molecular weight of 281.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium is sourced from PubChem (CID 3921193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).