N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine

C12H30N4S2 — CID 22320885

IUPACN'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine
SMILESNCCCCNCCSSCCNCCCCN
InChIInChI=1S/C12H30N4S2/c13-5-1-3-7-15-9-11-17-18-12-10-16-8-4-2-6-14/h15-16H,1-14H2
InChIKeyLOUTXCQKMXZDRE-UHFFFAOYSA-N
MW294.53 g/mol
LogP1.02
Rot. Bonds15

About N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine

N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine (PubChem CID 22320885) has the molecular formula C12H30N4S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine
PubChem CID22320885
Molecular FormulaC12H30N4S2
Molecular Weight294.53 g/mol
Exact Mass294.19
IUPAC NameN'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine
SMILESNCCCCNCCSSCCNCCCCN
InChIInChI=1S/C12H30N4S2/c13-5-1-3-7-15-9-11-17-18-12-10-16-8-4-2-6-14/h15-16H,1-14H2
InChIKeyLOUTXCQKMXZDRE-UHFFFAOYSA-N
XLogP1.02
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine?
The IUPAC name of N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine (CID 22320885) is N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine is NCCCCNCCSSCCNCCCCN.
What is the InChIKey of N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine?
The InChIKey is LOUTXCQKMXZDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4S2/c13-5-1-3-7-15-9-11-17-18-12-10-16-8-4-2-6-14/h15-16H,1-14H2.
What are the key properties of N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine?
N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine has a molecular weight of 294.53 g/mol, XLogP of 1.02, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine is sourced from PubChem (CID 22320885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).