N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide

C10H18BrNO4 — CID 173466200

IUPACN,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
SMILESBr.CN(C)C.O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C3H9N.BrH.H2O/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3;;/h1-4,8H,(H,9,10);1-3H3;1H;1H2
InChIKeyDGAMPVAMPFHKMA-UHFFFAOYSA-N
MW296.16 g/mol
LogP1.02
Rot. Bonds1

About N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide

N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide (PubChem CID 173466200) has the molecular formula C10H18BrNO4 and a molecular weight of 296.16 g/mol. Its IUPAC name is N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
PubChem CID173466200
Molecular FormulaC10H18BrNO4
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC NameN,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
SMILESBr.CN(C)C.O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C3H9N.BrH.H2O/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3;;/h1-4,8H,(H,9,10);1-3H3;1H;1H2
InChIKeyDGAMPVAMPFHKMA-UHFFFAOYSA-N
XLogP1.02
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide?
The IUPAC name of N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide (CID 173466200) is N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide.
What is the SMILES notation for N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide?
The canonical SMILES for N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide is Br.CN(C)C.O.O=C(O)c1ccc(O)cc1.
What is the InChIKey of N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide?
The InChIKey is DGAMPVAMPFHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H9N.BrH.H2O/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3;;/h1-4,8H,(H,9,10);1-3H3;1H;1H2.
What are the key properties of N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide?
N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide has a molecular weight of 296.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide is sourced from PubChem (CID 173466200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).