N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide

C16H42Br4N4 — CID 15951507

IUPACN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCNCCCNCCC(C)C
InChIInChI=1S/C16H38N4.4BrH/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3;;;;/h16-20H,4-15H2,1-3H3;4*1H
InChIKeyFSIXIIAUIHTILS-UHFFFAOYSA-N
MW610.16 g/mol
LogP3.89
Rot. Bonds16

About N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide

N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide (PubChem CID 15951507) has the molecular formula C16H42Br4N4 and a molecular weight of 610.16 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
PubChem CID15951507
Molecular FormulaC16H42Br4N4
Molecular Weight610.16 g/mol
Exact Mass606.01
IUPAC NameN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCNCCCNCCC(C)C
InChIInChI=1S/C16H38N4.4BrH/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3;;;;/h16-20H,4-15H2,1-3H3;4*1H
InChIKeyFSIXIIAUIHTILS-UHFFFAOYSA-N
XLogP3.89
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.16
LogP ≤ 53.89
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-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
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-(3-chloropropyl)-3-methylbutan-1-amine
CID 60668752
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide?
The IUPAC name of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide (CID 15951507) is N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide.
What is the SMILES notation for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide?
The canonical SMILES for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide is Br.Br.Br.Br.CCNCCCNCCCNCCCNCCC(C)C.
What is the InChIKey of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide?
The InChIKey is FSIXIIAUIHTILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4.4BrH/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3;;;;/h16-20H,4-15H2,1-3H3;4*1H.
What are the key properties of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide?
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide has a molecular weight of 610.16 g/mol, XLogP of 3.89, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide is sourced from PubChem (CID 15951507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).