N-benzylcarbamate;trimethylazanium

C11H18N2O2 — CID 66870081

IUPACN-benzylcarbamate;trimethylazanium
SMILESC[NH+](C)C.O=C([O-])NCc1ccccc1
InChIInChI=1S/C8H9NO2.C3H9N/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,9H,6H2,(H,10,11);1-3H3
InChIKeyALAPCFSRESIUHV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-1.12
Rot. Bonds2

About N-benzylcarbamate;trimethylazanium

N-benzylcarbamate;trimethylazanium (PubChem CID 66870081) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-benzylcarbamate;trimethylazanium.

Molecular Properties

Compound NameN-benzylcarbamate;trimethylazanium
PubChem CID66870081
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-benzylcarbamate;trimethylazanium
SMILESC[NH+](C)C.O=C([O-])NCc1ccccc1
InChIInChI=1S/C8H9NO2.C3H9N/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,9H,6H2,(H,10,11);1-3H3
InChIKeyALAPCFSRESIUHV-UHFFFAOYSA-N
XLogP-1.12
TPSA56.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-2-methylpropanamide;methane
CID 160760567
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
N-benzylacetamide;ethanamine
CID 22257034
1-benzyl-3-(propan-2-ylideneamino)urea
CID 2747682
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N'-benzyloxamide
CID 561416
N-benzyl-5,5-dimethyl-2,4-dioxohexanamide
CID 15445664
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290

Frequently Asked Questions

What is the IUPAC name of N-benzylcarbamate;trimethylazanium?
The IUPAC name of N-benzylcarbamate;trimethylazanium (CID 66870081) is N-benzylcarbamate;trimethylazanium.
What is the SMILES notation for N-benzylcarbamate;trimethylazanium?
The canonical SMILES for N-benzylcarbamate;trimethylazanium is C[NH+](C)C.O=C([O-])NCc1ccccc1.
What is the InChIKey of N-benzylcarbamate;trimethylazanium?
The InChIKey is ALAPCFSRESIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C3H9N/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,9H,6H2,(H,10,11);1-3H3.
What are the key properties of N-benzylcarbamate;trimethylazanium?
N-benzylcarbamate;trimethylazanium has a molecular weight of 210.28 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcarbamate;trimethylazanium is sourced from PubChem (CID 66870081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).