butan-1-amine;propane-1,2,3-triol;hydrobromide

C7H20BrNO3 — CID 174855809

IUPACbutan-1-amine;propane-1,2,3-triol;hydrobromide
SMILESBr.CCCCN.OCC(O)CO
InChIInChI=1S/C4H11N.C3H8O3.BrH/c1-2-3-4-5;4-1-3(6)2-5;/h2-5H2,1H3;3-6H,1-2H2;1H
InChIKeyNQNUBFUJQZPITD-UHFFFAOYSA-N
MW246.14 g/mol
LogP-0.34
Rot. Bonds4

About butan-1-amine;propane-1,2,3-triol;hydrobromide

butan-1-amine;propane-1,2,3-triol;hydrobromide (PubChem CID 174855809) has the molecular formula C7H20BrNO3 and a molecular weight of 246.14 g/mol. Its IUPAC name is butan-1-amine;propane-1,2,3-triol;hydrobromide.

Molecular Properties

Compound Namebutan-1-amine;propane-1,2,3-triol;hydrobromide
PubChem CID174855809
Molecular FormulaC7H20BrNO3
Molecular Weight246.14 g/mol
Exact Mass245.06
IUPAC Namebutan-1-amine;propane-1,2,3-triol;hydrobromide
SMILESBr.CCCCN.OCC(O)CO
InChIInChI=1S/C4H11N.C3H8O3.BrH/c1-2-3-4-5;4-1-3(6)2-5;/h2-5H2,1H3;3-6H,1-2H2;1H
InChIKeyNQNUBFUJQZPITD-UHFFFAOYSA-N
XLogP-0.34
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze butan-1-amine;propane-1,2,3-triol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-1-amine;propan-2-ol
CID 174667581
tris(butan-1-amine);methylsilane
CID 161377074
1-aminobutan-2-ol;propane-1,3-diamine
CID 159214940
CID 159237160
CID 159237160
1-chloropentane;propane-1,2,3-triol
CID 175376833
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
5-aminopentane-1,2-diol;hydrochloride
CID 86645443
1-aminopentadecan-4-ol
CID 151480186
1-aminooctacosan-11-ol
CID 172994921
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
1-decoxydecane;decakis(propane-1,2,3-triol)
CID 173382883

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;propane-1,2,3-triol;hydrobromide?
The IUPAC name of butan-1-amine;propane-1,2,3-triol;hydrobromide (CID 174855809) is butan-1-amine;propane-1,2,3-triol;hydrobromide.
What is the SMILES notation for butan-1-amine;propane-1,2,3-triol;hydrobromide?
The canonical SMILES for butan-1-amine;propane-1,2,3-triol;hydrobromide is Br.CCCCN.OCC(O)CO.
What is the InChIKey of butan-1-amine;propane-1,2,3-triol;hydrobromide?
The InChIKey is NQNUBFUJQZPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H8O3.BrH/c1-2-3-4-5;4-1-3(6)2-5;/h2-5H2,1H3;3-6H,1-2H2;1H.
What are the key properties of butan-1-amine;propane-1,2,3-triol;hydrobromide?
butan-1-amine;propane-1,2,3-triol;hydrobromide has a molecular weight of 246.14 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;propane-1,2,3-triol;hydrobromide is sourced from PubChem (CID 174855809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).