N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide

C15H40Br4N4 — CID 86261000

IUPACN,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCCCNCCCNCC
InChIInChI=1S/C15H36N4.4BrH/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2;;;;/h16-19H,3-15H2,1-2H3;4*1H
InChIKeyCXOBJZGPXHLIPK-UHFFFAOYSA-N
MW596.13 g/mol
LogP3.65
Rot. Bonds16

About N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide

N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide (PubChem CID 86261000) has the molecular formula C15H40Br4N4 and a molecular weight of 596.13 g/mol. Its IUPAC name is N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide.

Molecular Properties

Compound NameN,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
PubChem CID86261000
Molecular FormulaC15H40Br4N4
Molecular Weight596.13 g/mol
Exact Mass592.00
IUPAC NameN,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCCCNCCCNCC
InChIInChI=1S/C15H36N4.4BrH/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2;;;;/h16-19H,3-15H2,1-2H3;4*1H
InChIKeyCXOBJZGPXHLIPK-UHFFFAOYSA-N
XLogP3.65
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.13
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide?
The IUPAC name of N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide (CID 86261000) is N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide.
What is the SMILES notation for N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide?
The canonical SMILES for N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide is Br.Br.Br.Br.CCNCCCNCCCCCNCCCNCC.
What is the InChIKey of N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide?
The InChIKey is CXOBJZGPXHLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4.4BrH/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2;;;;/h16-19H,3-15H2,1-2H3;4*1H.
What are the key properties of N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide?
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide has a molecular weight of 596.13 g/mol, XLogP of 3.65, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide is sourced from PubChem (CID 86261000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).