aniline;N,N-dimethylmethanamine;hydrobromide

C9H17BrN2 — CID 173156030

IUPACaniline;N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)C.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H9N.BrH/c7-6-4-2-1-3-5-6;1-4(2)3;/h1-5H,7H2;1-3H3;1H
InChIKeyLVGMBAFJXCKIDP-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.02
Rot. Bonds

About aniline;N,N-dimethylmethanamine;hydrobromide

aniline;N,N-dimethylmethanamine;hydrobromide (PubChem CID 173156030) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is aniline;N,N-dimethylmethanamine;hydrobromide.

Molecular Properties

Compound Nameaniline;N,N-dimethylmethanamine;hydrobromide
PubChem CID173156030
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Nameaniline;N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)C.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H9N.BrH/c7-6-4-2-1-3-5-6;1-4(2)3;/h1-5H,7H2;1-3H3;1H
InChIKeyLVGMBAFJXCKIDP-UHFFFAOYSA-N
XLogP2.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;N,N-dimethylmethanamine;hydrobromide?
The IUPAC name of aniline;N,N-dimethylmethanamine;hydrobromide (CID 173156030) is aniline;N,N-dimethylmethanamine;hydrobromide.
What is the SMILES notation for aniline;N,N-dimethylmethanamine;hydrobromide?
The canonical SMILES for aniline;N,N-dimethylmethanamine;hydrobromide is Br.CN(C)C.Nc1ccccc1.
What is the InChIKey of aniline;N,N-dimethylmethanamine;hydrobromide?
The InChIKey is LVGMBAFJXCKIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C3H9N.BrH/c7-6-4-2-1-3-5-6;1-4(2)3;/h1-5H,7H2;1-3H3;1H.
What are the key properties of aniline;N,N-dimethylmethanamine;hydrobromide?
aniline;N,N-dimethylmethanamine;hydrobromide has a molecular weight of 233.15 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N,N-dimethylmethanamine;hydrobromide is sourced from PubChem (CID 173156030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).