N,N-dimethylpyridin-4-amine;octane;dihydrobromide

C15H30Br2N2 — CID 174752520

IUPACN,N-dimethylpyridin-4-amine;octane;dihydrobromide
SMILESBr.Br.CCCCCCCC.CN(C)c1ccncc1
InChIInChI=1S/C8H18.C7H10N2.2BrH/c1-3-5-7-8-6-4-2;1-9(2)7-3-5-8-6-4-7;;/h3-8H2,1-2H3;3-6H,1-2H3;2*1H
InChIKeyGVCZRBVAZJHCCP-UHFFFAOYSA-N
MW398.23 g/mol
LogP5.67
Rot. Bonds6

About N,N-dimethylpyridin-4-amine;octane;dihydrobromide

N,N-dimethylpyridin-4-amine;octane;dihydrobromide (PubChem CID 174752520) has the molecular formula C15H30Br2N2 and a molecular weight of 398.23 g/mol. Its IUPAC name is N,N-dimethylpyridin-4-amine;octane;dihydrobromide.

Molecular Properties

Compound NameN,N-dimethylpyridin-4-amine;octane;dihydrobromide
PubChem CID174752520
Molecular FormulaC15H30Br2N2
Molecular Weight398.23 g/mol
Exact Mass396.08
IUPAC NameN,N-dimethylpyridin-4-amine;octane;dihydrobromide
SMILESBr.Br.CCCCCCCC.CN(C)c1ccncc1
InChIInChI=1S/C8H18.C7H10N2.2BrH/c1-3-5-7-8-6-4-2;1-9(2)7-3-5-8-6-4-7;;/h3-8H2,1-2H3;3-6H,1-2H3;2*1H
InChIKeyGVCZRBVAZJHCCP-UHFFFAOYSA-N
XLogP5.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.23
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine
CID 14284
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
N,N-dimethylpyridin-4-amine;triethylborane
CID 159448886
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
copper;N,N-dimethylpyridin-4-amine;propyl hypobromite
CID 70454587
acetonitrile;N,N-dimethylpyridin-4-amine
CID 160806419
4-heptyl-N,N-dimethylaniline
CID 20777180
CID 16688698
CID 16688698
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-4-amine;octane;dihydrobromide?
The IUPAC name of N,N-dimethylpyridin-4-amine;octane;dihydrobromide (CID 174752520) is N,N-dimethylpyridin-4-amine;octane;dihydrobromide.
What is the SMILES notation for N,N-dimethylpyridin-4-amine;octane;dihydrobromide?
The canonical SMILES for N,N-dimethylpyridin-4-amine;octane;dihydrobromide is Br.Br.CCCCCCCC.CN(C)c1ccncc1.
What is the InChIKey of N,N-dimethylpyridin-4-amine;octane;dihydrobromide?
The InChIKey is GVCZRBVAZJHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H10N2.2BrH/c1-3-5-7-8-6-4-2;1-9(2)7-3-5-8-6-4-7;;/h3-8H2,1-2H3;3-6H,1-2H3;2*1H.
What are the key properties of N,N-dimethylpyridin-4-amine;octane;dihydrobromide?
N,N-dimethylpyridin-4-amine;octane;dihydrobromide has a molecular weight of 398.23 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-4-amine;octane;dihydrobromide is sourced from PubChem (CID 174752520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).