3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride

C16H42Cl4N4 — CID 10181201

IUPAC3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
SMILESCCNC(C)CCNCCCCNCCC(C)NCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C16H38N4.4ClH/c1-5-19-15(3)9-13-17-11-7-8-12-18-14-10-16(4)20-6-2;;;;/h15-20H,5-14H2,1-4H3;4*1H
InChIKeyFAMBGXZZUWNTJF-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.41
Rot. Bonds15

About 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride

3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride (PubChem CID 10181201) has the molecular formula C16H42Cl4N4 and a molecular weight of 432.35 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride.

Molecular Properties

Compound Name3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
PubChem CID10181201
Molecular FormulaC16H42Cl4N4
Molecular Weight432.35 g/mol
Exact Mass430.22
IUPAC Name3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
SMILESCCNC(C)CCNCCCCNCCC(C)NCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C16H38N4.4ClH/c1-5-19-15(3)9-13-17-11-7-8-12-18-14-10-16(4)20-6-2;;;;/h15-20H,5-14H2,1-4H3;4*1H
InChIKeyFAMBGXZZUWNTJF-UHFFFAOYSA-N
XLogP3.41
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.41
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

3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;vanadium
CID 161302132
4-N-[4-(butylamino)butyl]-1-N,1-N'-diethylbutane-1,1,4-triamine
CID 87772787
N-ethyl-5-methylhexan-2-amine
CID 24689543
1-N-[4-[3-(butan-2-ylamino)butylamino]butyl]-3-N-methylbutane-1,3-diamine
CID 153341749
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
1-N'-[4-(butylamino)butyl]-1-N-ethyl-4-N-[4-(ethylamino)butyl]butane-1,1,4-triamine
CID 87771515
N-ethyl-4-iodobutan-2-amine
CID 144808658
3-(ethylamino)butan-1-ol
CID 12636119
4-bromo-N-ethylbutan-2-amine
CID 83179522
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-(3-methylbutyl)heptan-1-amine
CID 22348867

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride?
The IUPAC name of 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride (CID 10181201) is 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride.
What is the SMILES notation for 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride?
The canonical SMILES for 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride is CCNC(C)CCNCCCCNCCC(C)NCC.Cl.Cl.Cl.Cl.
What is the InChIKey of 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride?
The InChIKey is FAMBGXZZUWNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4.4ClH/c1-5-19-15(3)9-13-17-11-7-8-12-18-14-10-16(4)20-6-2;;;;/h15-20H,5-14H2,1-4H3;4*1H.
What are the key properties of 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride?
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride has a molecular weight of 432.35 g/mol, XLogP of 3.41, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride is sourced from PubChem (CID 10181201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).