2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide

C6H17BrN2 — CID 173333878

IUPAC2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
SMILESBr.CCC(C)(N)N(C)C
InChIInChI=1S/C6H16N2.BrH/c1-5-6(2,7)8(3)4;/h5,7H2,1-4H3;1H
InChIKeyDKLXBRXEJDULTB-UHFFFAOYSA-N
MW197.12 g/mol
LogP1.21
Rot. Bonds2

About 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide

2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide (PubChem CID 173333878) has the molecular formula C6H17BrN2 and a molecular weight of 197.12 g/mol. Its IUPAC name is 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide.

Molecular Properties

Compound Name2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
PubChem CID173333878
Molecular FormulaC6H17BrN2
Molecular Weight197.12 g/mol
Exact Mass196.06
IUPAC Name2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
SMILESBr.CCC(C)(N)N(C)C
InChIInChI=1S/C6H16N2.BrH/c1-5-6(2,7)8(3)4;/h5,7H2,1-4H3;1H
InChIKeyDKLXBRXEJDULTB-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(dimethylamino)propan-1-ol
CID 169080218
2-methylbutan-2-amine;hydrate;hydrobromide
CID 175153237
2-N',2-N'-dimethylpropane-2,2-diamine
CID 15097057
2-amino-2-(dimethylamino)butanoic acid
CID 88610523
2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;propane
CID 91035545
1-N"-tert-butyl-1-N"-ethyl-1-N',1-N'-dimethylethane-1,1,1-triamine
CID 144761488
2-amino-2-(dimethylamino)butanal
CID 87544276
bis(2-methylpropan-2-amine);propane
CID 160822364
N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
(2R)-2-(dimethylamino)butane-2-thiol
CID 160975847
2-N'-oxido-2-N'-tetradecylbutane-2,2-diamine
CID 122423538

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide?
The IUPAC name of 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide (CID 173333878) is 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide.
What is the SMILES notation for 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide?
The canonical SMILES for 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide is Br.CCC(C)(N)N(C)C.
What is the InChIKey of 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide?
The InChIKey is DKLXBRXEJDULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.BrH/c1-5-6(2,7)8(3)4;/h5,7H2,1-4H3;1H.
What are the key properties of 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide?
2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide has a molecular weight of 197.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide is sourced from PubChem (CID 173333878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).