3-bromo-N-ethylpropan-1-amine;hydrobromide

C5H13Br2N — CID 18324827

IUPAC3-bromo-N-ethylpropan-1-amine;hydrobromide
SMILESBr.CCNCCCBr
InChIInChI=1S/C5H12BrN.BrH/c1-2-7-5-3-4-6;/h7H,2-5H2,1H3;1H
InChIKeyRNELFBCBNQVKQU-UHFFFAOYSA-N
MW246.97 g/mol
LogP1.96
Rot. Bonds4

About 3-bromo-N-ethylpropan-1-amine;hydrobromide

3-bromo-N-ethylpropan-1-amine;hydrobromide (PubChem CID 18324827) has the molecular formula C5H13Br2N and a molecular weight of 246.97 g/mol. Its IUPAC name is 3-bromo-N-ethylpropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-bromo-N-ethylpropan-1-amine;hydrobromide
PubChem CID18324827
Molecular FormulaC5H13Br2N
Molecular Weight246.97 g/mol
Exact Mass244.94
IUPAC Name3-bromo-N-ethylpropan-1-amine;hydrobromide
SMILESBr.CCNCCCBr
InChIInChI=1S/C5H12BrN.BrH/c1-2-7-5-3-4-6;/h7H,2-5H2,1H3;1H
InChIKeyRNELFBCBNQVKQU-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.97
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-ethylpentan-1-amine
CID 104505485
N,N'-diethylpentane-1,5-diamine
CID 15013244
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
ethane;N-ethylhexan-1-amine
CID 143229911
N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
CID 118903147
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
6-bromo-N-pentylhexan-1-amine
CID 107844161
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethylpropan-1-amine;hydrobromide?
The IUPAC name of 3-bromo-N-ethylpropan-1-amine;hydrobromide (CID 18324827) is 3-bromo-N-ethylpropan-1-amine;hydrobromide.
What is the SMILES notation for 3-bromo-N-ethylpropan-1-amine;hydrobromide?
The canonical SMILES for 3-bromo-N-ethylpropan-1-amine;hydrobromide is Br.CCNCCCBr.
What is the InChIKey of 3-bromo-N-ethylpropan-1-amine;hydrobromide?
The InChIKey is RNELFBCBNQVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrN.BrH/c1-2-7-5-3-4-6;/h7H,2-5H2,1H3;1H.
What are the key properties of 3-bromo-N-ethylpropan-1-amine;hydrobromide?
3-bromo-N-ethylpropan-1-amine;hydrobromide has a molecular weight of 246.97 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethylpropan-1-amine;hydrobromide is sourced from PubChem (CID 18324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).