2-methylbutan-2-amine;hydrate;hydrobromide

C5H16BrNO — CID 175153237

IUPAC2-methylbutan-2-amine;hydrate;hydrobromide
SMILESBr.CCC(C)(C)N.O
InChIInChI=1S/C5H13N.BrH.H2O/c1-4-5(2,3)6;;/h4,6H2,1-3H3;1H;1H2
InChIKeyVHBLLDBRGMXQQF-UHFFFAOYSA-N
MW186.09 g/mol
LogP0.89
Rot. Bonds1

About 2-methylbutan-2-amine;hydrate;hydrobromide

2-methylbutan-2-amine;hydrate;hydrobromide (PubChem CID 175153237) has the molecular formula C5H16BrNO and a molecular weight of 186.09 g/mol. Its IUPAC name is 2-methylbutan-2-amine;hydrate;hydrobromide.

Molecular Properties

Compound Name2-methylbutan-2-amine;hydrate;hydrobromide
PubChem CID175153237
Molecular FormulaC5H16BrNO
Molecular Weight186.09 g/mol
Exact Mass185.04
IUPAC Name2-methylbutan-2-amine;hydrate;hydrobromide
SMILESBr.CCC(C)(C)N.O
InChIInChI=1S/C5H13N.BrH.H2O/c1-4-5(2,3)6;;/h4,6H2,1-3H3;1H;1H2
InChIKeyVHBLLDBRGMXQQF-UHFFFAOYSA-N
XLogP0.89
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;propane
CID 91035545
bis(2-methylpropan-2-amine);propane
CID 160822364
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
CID 173333878
ethane;2-methylbutan-2-amine;1-methylpyrrolidine
CID 167503292
2-aminobutan-2-ol;propane
CID 174346487
3,3-dimethylpentane;propane
CID 90942978
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-amine;hydrate;hydrobromide?
The IUPAC name of 2-methylbutan-2-amine;hydrate;hydrobromide (CID 175153237) is 2-methylbutan-2-amine;hydrate;hydrobromide.
What is the SMILES notation for 2-methylbutan-2-amine;hydrate;hydrobromide?
The canonical SMILES for 2-methylbutan-2-amine;hydrate;hydrobromide is Br.CCC(C)(C)N.O.
What is the InChIKey of 2-methylbutan-2-amine;hydrate;hydrobromide?
The InChIKey is VHBLLDBRGMXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.BrH.H2O/c1-4-5(2,3)6;;/h4,6H2,1-3H3;1H;1H2.
What are the key properties of 2-methylbutan-2-amine;hydrate;hydrobromide?
2-methylbutan-2-amine;hydrate;hydrobromide has a molecular weight of 186.09 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-amine;hydrate;hydrobromide is sourced from PubChem (CID 175153237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).