N,N-dimethylaniline;hydron

C8H12N+ — CID 174471199

IUPACN,N-dimethylaniline;hydron
SMILESCN(C)c1ccccc1.[H+]
InChIInChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1
InChIKeyJLTDJTHDQAWBAV-UHFFFAOYSA-O
MW122.19 g/mol
LogP1.87
Rot. Bonds1

About N,N-dimethylaniline;hydron

N,N-dimethylaniline;hydron (PubChem CID 174471199) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is N,N-dimethylaniline;hydron.

Molecular Properties

Compound NameN,N-dimethylaniline;hydron
PubChem CID174471199
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC NameN,N-dimethylaniline;hydron
SMILESCN(C)c1ccccc1.[H+]
InChIInChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1
InChIKeyJLTDJTHDQAWBAV-UHFFFAOYSA-O
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;hydron?
The IUPAC name of N,N-dimethylaniline;hydron (CID 174471199) is N,N-dimethylaniline;hydron.
What is the SMILES notation for N,N-dimethylaniline;hydron?
The canonical SMILES for N,N-dimethylaniline;hydron is CN(C)c1ccccc1.[H+].
What is the InChIKey of N,N-dimethylaniline;hydron?
The InChIKey is JLTDJTHDQAWBAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1.
What are the key properties of N,N-dimethylaniline;hydron?
N,N-dimethylaniline;hydron has a molecular weight of 122.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;hydron is sourced from PubChem (CID 174471199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).