2-(methylamino)pentane-1,3-diol;hydrobromide

C6H16BrNO2 — CID 174751065

IUPAC2-(methylamino)pentane-1,3-diol;hydrobromide
SMILESBr.CCC(O)C(CO)NC
InChIInChI=1S/C6H15NO2.BrH/c1-3-6(9)5(4-8)7-2;/h5-9H,3-4H2,1-2H3;1H
InChIKeyVAAFOHVZDAUDHN-UHFFFAOYSA-N
MW214.10 g/mol
LogP-0.08
Rot. Bonds4

About 2-(methylamino)pentane-1,3-diol;hydrobromide

2-(methylamino)pentane-1,3-diol;hydrobromide (PubChem CID 174751065) has the molecular formula C6H16BrNO2 and a molecular weight of 214.10 g/mol. Its IUPAC name is 2-(methylamino)pentane-1,3-diol;hydrobromide.

Molecular Properties

Compound Name2-(methylamino)pentane-1,3-diol;hydrobromide
PubChem CID174751065
Molecular FormulaC6H16BrNO2
Molecular Weight214.10 g/mol
Exact Mass213.04
IUPAC Name2-(methylamino)pentane-1,3-diol;hydrobromide
SMILESBr.CCC(O)C(CO)NC
InChIInChI=1S/C6H15NO2.BrH/c1-3-6(9)5(4-8)7-2;/h5-9H,3-4H2,1-2H3;1H
InChIKeyVAAFOHVZDAUDHN-UHFFFAOYSA-N
XLogP-0.08
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(methylamino)hexan-3-ol
CID 142067249
2-(methylamino)propane-1,1,3-triol
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(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
1,3,4-tris(methylamino)pentane-1,5-diol
CID 174713923
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
4-(ethylamino)hexan-3-ol
CID 130632244
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
4-[3-chloropropyl(methyl)amino]-2-(methylamino)butane-1,3-diol
CID 87788313

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pentane-1,3-diol;hydrobromide?
The IUPAC name of 2-(methylamino)pentane-1,3-diol;hydrobromide (CID 174751065) is 2-(methylamino)pentane-1,3-diol;hydrobromide.
What is the SMILES notation for 2-(methylamino)pentane-1,3-diol;hydrobromide?
The canonical SMILES for 2-(methylamino)pentane-1,3-diol;hydrobromide is Br.CCC(O)C(CO)NC.
What is the InChIKey of 2-(methylamino)pentane-1,3-diol;hydrobromide?
The InChIKey is VAAFOHVZDAUDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.BrH/c1-3-6(9)5(4-8)7-2;/h5-9H,3-4H2,1-2H3;1H.
What are the key properties of 2-(methylamino)pentane-1,3-diol;hydrobromide?
2-(methylamino)pentane-1,3-diol;hydrobromide has a molecular weight of 214.10 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pentane-1,3-diol;hydrobromide is sourced from PubChem (CID 174751065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).