1,3,3-trimethylindol-1-ium-2-amine

C11H15N2+ — CID 11346035

IUPAC1,3,3-trimethylindol-1-ium-2-amine
SMILESC[N+]1=C(N)C(C)(C)c2ccccc21
InChIInChI=1S/C11H14N2/c1-11(2)8-6-4-5-7-9(8)13(3)10(11)12/h4-7,12H,1-3H3/p+1
InChIKeyIQVXOUXPKRGXIX-UHFFFAOYSA-O
MW175.25 g/mol
LogP1.61
Rot. Bonds

About 1,3,3-trimethylindol-1-ium-2-amine

1,3,3-trimethylindol-1-ium-2-amine (PubChem CID 11346035) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 1,3,3-trimethylindol-1-ium-2-amine.

Molecular Properties

Compound Name1,3,3-trimethylindol-1-ium-2-amine
PubChem CID11346035
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name1,3,3-trimethylindol-1-ium-2-amine
SMILESC[N+]1=C(N)C(C)(C)c2ccccc21
InChIInChI=1S/C11H14N2/c1-11(2)8-6-4-5-7-9(8)13(3)10(11)12/h4-7,12H,1-3H3/p+1
InChIKeyIQVXOUXPKRGXIX-UHFFFAOYSA-O
XLogP1.61
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol
CID 7224947
1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
1,3,3-trimethyl-2-[(E)-3-methylpent-2-en-2-yl]indol-1-ium
CID 130327251
tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
CID 173139340
2-ethyl-1,3,3-trimethylindol-1-ium perchlorate
CID 10613301
4-(1,3,3-trimethylindol-1-ium-2-yl)butanamide
CID 3477511
1,3,3-trimethyl-2-(2-methylsulfanylethenyl)indol-1-ium
CID 71396886
1,3,3-trimethyl-2-[(E)-3-methylbut-1-enyl]indol-1-ium
CID 147182916
N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline
CID 58659925
2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenol
CID 6012065
2,3,3-trimethyl-1-propan-2-ylindol-1-ium
CID 1390106
bis(1,3,3-trimethylindol-1-ium) diiodide
CID 175186125

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylindol-1-ium-2-amine?
The IUPAC name of 1,3,3-trimethylindol-1-ium-2-amine (CID 11346035) is 1,3,3-trimethylindol-1-ium-2-amine.
What is the SMILES notation for 1,3,3-trimethylindol-1-ium-2-amine?
The canonical SMILES for 1,3,3-trimethylindol-1-ium-2-amine is C[N+]1=C(N)C(C)(C)c2ccccc21.
What is the InChIKey of 1,3,3-trimethylindol-1-ium-2-amine?
The InChIKey is IQVXOUXPKRGXIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2/c1-11(2)8-6-4-5-7-9(8)13(3)10(11)12/h4-7,12H,1-3H3/p+1.
What are the key properties of 1,3,3-trimethylindol-1-ium-2-amine?
1,3,3-trimethylindol-1-ium-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylindol-1-ium-2-amine is sourced from PubChem (CID 11346035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).