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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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).