2,2-di(butan-2-yloxy)ethanamine;hydrobromide

C10H24BrNO2 — CID 173067148

IUPAC2,2-di(butan-2-yloxy)ethanamine;hydrobromide
SMILESBr.CCC(C)OC(CN)OC(C)CC
InChIInChI=1S/C10H23NO2.BrH/c1-5-8(3)12-10(7-11)13-9(4)6-2;/h8-10H,5-7,11H2,1-4H3;1H
InChIKeyBHBYTYWOWUAMFM-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.48
Rot. Bonds7

About 2,2-di(butan-2-yloxy)ethanamine;hydrobromide

2,2-di(butan-2-yloxy)ethanamine;hydrobromide (PubChem CID 173067148) has the molecular formula C10H24BrNO2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2,2-di(butan-2-yloxy)ethanamine;hydrobromide.

Molecular Properties

Compound Name2,2-di(butan-2-yloxy)ethanamine;hydrobromide
PubChem CID173067148
Molecular FormulaC10H24BrNO2
Molecular Weight270.21 g/mol
Exact Mass269.10
IUPAC Name2,2-di(butan-2-yloxy)ethanamine;hydrobromide
SMILESBr.CCC(C)OC(CN)OC(C)CC
InChIInChI=1S/C10H23NO2.BrH/c1-5-8(3)12-10(7-11)13-9(4)6-2;/h8-10H,5-7,11H2,1-4H3;1H
InChIKeyBHBYTYWOWUAMFM-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;2-butan-2-yloxybutane
CID 87187028
2-butan-2-yloxybutane;ethanol
CID 88614162
butan-2-yloxymercury
CID 144602861
3-butan-2-yloxypent-1-yne
CID 89195467
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
1-butan-2-yloxy-1-butoxybutane
CID 19964023
aluminum tris(2-acetyl-4,4-di(butan-2-yloxy)butanoate)
CID 173040104
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
1-butan-2-yloxyethanol;heptan-1-amine
CID 18958719
2-methylpropan-1-amine;dihydrobromide
CID 172812560
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium
CID 139526868

Frequently Asked Questions

What is the IUPAC name of 2,2-di(butan-2-yloxy)ethanamine;hydrobromide?
The IUPAC name of 2,2-di(butan-2-yloxy)ethanamine;hydrobromide (CID 173067148) is 2,2-di(butan-2-yloxy)ethanamine;hydrobromide.
What is the SMILES notation for 2,2-di(butan-2-yloxy)ethanamine;hydrobromide?
The canonical SMILES for 2,2-di(butan-2-yloxy)ethanamine;hydrobromide is Br.CCC(C)OC(CN)OC(C)CC.
What is the InChIKey of 2,2-di(butan-2-yloxy)ethanamine;hydrobromide?
The InChIKey is BHBYTYWOWUAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2.BrH/c1-5-8(3)12-10(7-11)13-9(4)6-2;/h8-10H,5-7,11H2,1-4H3;1H.
What are the key properties of 2,2-di(butan-2-yloxy)ethanamine;hydrobromide?
2,2-di(butan-2-yloxy)ethanamine;hydrobromide has a molecular weight of 270.21 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(butan-2-yloxy)ethanamine;hydrobromide is sourced from PubChem (CID 173067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).