5-bromo-N-ethylpentan-1-amine

C7H16BrN — CID 104505485

IUPAC5-bromo-N-ethylpentan-1-amine
SMILESCCNCCCCCBr
InChIInChI=1S/C7H16BrN/c1-2-9-7-5-3-4-6-8/h9H,2-7H2,1H3
InChIKeyCNIXVPUMTQGFSX-UHFFFAOYSA-N
MW194.12 g/mol
LogP2.16
Rot. Bonds6

About 5-bromo-N-ethylpentan-1-amine

5-bromo-N-ethylpentan-1-amine (PubChem CID 104505485) has the molecular formula C7H16BrN and a molecular weight of 194.12 g/mol. Its IUPAC name is 5-bromo-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-ethylpentan-1-amine
PubChem CID104505485
Molecular FormulaC7H16BrN
Molecular Weight194.12 g/mol
Exact Mass193.05
IUPAC Name5-bromo-N-ethylpentan-1-amine
SMILESCCNCCCCCBr
InChIInChI=1S/C7H16BrN/c1-2-9-7-5-3-4-6-8/h9H,2-7H2,1H3
InChIKeyCNIXVPUMTQGFSX-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 52.16
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

3-bromo-N-ethylpropan-1-amine;hydrobromide
CID 18324827
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
6-bromo-N-pentylhexan-1-amine
CID 107844161
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
ethane;N-ethylhexan-1-amine
CID 143229911
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,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethylpentan-1-amine?
The IUPAC name of 5-bromo-N-ethylpentan-1-amine (CID 104505485) is 5-bromo-N-ethylpentan-1-amine.
What is the SMILES notation for 5-bromo-N-ethylpentan-1-amine?
The canonical SMILES for 5-bromo-N-ethylpentan-1-amine is CCNCCCCCBr.
What is the InChIKey of 5-bromo-N-ethylpentan-1-amine?
The InChIKey is CNIXVPUMTQGFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrN/c1-2-9-7-5-3-4-6-8/h9H,2-7H2,1H3.
What are the key properties of 5-bromo-N-ethylpentan-1-amine?
5-bromo-N-ethylpentan-1-amine has a molecular weight of 194.12 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethylpentan-1-amine is sourced from PubChem (CID 104505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).