1-amino-2-(butylamino)ethanol;hydrobromide

C6H17BrN2O — CID 174960683

IUPAC1-amino-2-(butylamino)ethanol;hydrobromide
SMILESBr.CCCCNCC(N)O
InChIInChI=1S/C6H16N2O.BrH/c1-2-3-4-8-5-6(7)9;/h6,8-9H,2-5,7H2,1H3;1H
InChIKeyCNBFULJSFWYJSK-UHFFFAOYSA-N
MW213.12 g/mol
LogP0.23
Rot. Bonds5

About 1-amino-2-(butylamino)ethanol;hydrobromide

1-amino-2-(butylamino)ethanol;hydrobromide (PubChem CID 174960683) has the molecular formula C6H17BrN2O and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-amino-2-(butylamino)ethanol;hydrobromide.

Molecular Properties

Compound Name1-amino-2-(butylamino)ethanol;hydrobromide
PubChem CID174960683
Molecular FormulaC6H17BrN2O
Molecular Weight213.12 g/mol
Exact Mass212.05
IUPAC Name1-amino-2-(butylamino)ethanol;hydrobromide
SMILESBr.CCCCNCC(N)O
InChIInChI=1S/C6H16N2O.BrH/c1-2-3-4-8-5-6(7)9;/h6,8-9H,2-5,7H2,1H3;1H
InChIKeyCNBFULJSFWYJSK-UHFFFAOYSA-N
XLogP0.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-N-butylbutane-1,2-diamine
CID 130522167
2-(heptadecylamino)ethane-1,1-diol;hydrobromide
CID 175162321
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
2-amino-3-(butylamino)propanamide
CID 103232681
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
1-(pentylamino)propan-2-ol
CID 3016247
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
CID 16738764

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(butylamino)ethanol;hydrobromide?
The IUPAC name of 1-amino-2-(butylamino)ethanol;hydrobromide (CID 174960683) is 1-amino-2-(butylamino)ethanol;hydrobromide.
What is the SMILES notation for 1-amino-2-(butylamino)ethanol;hydrobromide?
The canonical SMILES for 1-amino-2-(butylamino)ethanol;hydrobromide is Br.CCCCNCC(N)O.
What is the InChIKey of 1-amino-2-(butylamino)ethanol;hydrobromide?
The InChIKey is CNBFULJSFWYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.BrH/c1-2-3-4-8-5-6(7)9;/h6,8-9H,2-5,7H2,1H3;1H.
What are the key properties of 1-amino-2-(butylamino)ethanol;hydrobromide?
1-amino-2-(butylamino)ethanol;hydrobromide has a molecular weight of 213.12 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(butylamino)ethanol;hydrobromide is sourced from PubChem (CID 174960683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).