(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium

C12H18N3O+ — CID 163706734

IUPAC(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium
SMILESCNO[N+](C)(C)C1C(N)=Cc2ccccc21
InChIInChI=1S/C12H18N3O/c1-14-16-15(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h4-8,12,14H,13H2,1-3H3/q+1
InChIKeyRLTHZVNDKQWBNR-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.18
Rot. Bonds3

About (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium

(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium (PubChem CID 163706734) has the molecular formula C12H18N3O+ and a molecular weight of 220.30 g/mol. Its IUPAC name is (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium.

Molecular Properties

Compound Name(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium
PubChem CID163706734
Molecular FormulaC12H18N3O+
Molecular Weight220.30 g/mol
Exact Mass220.14
IUPAC Name(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium
SMILESCNO[N+](C)(C)C1C(N)=Cc2ccccc21
InChIInChI=1S/C12H18N3O/c1-14-16-15(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h4-8,12,14H,13H2,1-3H3/q+1
InChIKeyRLTHZVNDKQWBNR-UHFFFAOYSA-N
XLogP1.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793
1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine
CID 151384354
1H-phenalene-1,2-diamine;dihydrochloride
CID 174160144
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
CID 140629889
bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride
CID 18627824
bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
1-methanidyl-2-methyl-1H-indene;zirconium
CID 173317989
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 68786112
2-[2-(2-methyl-1H-inden-1-yl)phenyl]propan-2-ol
CID 139951458
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246

Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium?
The IUPAC name of (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium (CID 163706734) is (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium.
What is the SMILES notation for (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium?
The canonical SMILES for (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium is CNO[N+](C)(C)C1C(N)=Cc2ccccc21.
What is the InChIKey of (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium?
The InChIKey is RLTHZVNDKQWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3O/c1-14-16-15(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h4-8,12,14H,13H2,1-3H3/q+1.
What are the key properties of (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium?
(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium has a molecular weight of 220.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium is sourced from PubChem (CID 163706734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).