1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol

C10H27N5O2 — CID 88677444

IUPAC1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
SMILESNCCNCCNCC(O)C(O)CNCCN
InChIInChI=1S/C10H27N5O2/c11-1-3-13-5-6-15-8-10(17)9(16)7-14-4-2-12/h9-10,13-17H,1-8,11-12H2
InChIKeyCUJLYWPWZNSKQF-UHFFFAOYSA-N
MW249.36 g/mol
LogP-3.61
Rot. Bonds12

About 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol

1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol (PubChem CID 88677444) has the molecular formula C10H27N5O2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
PubChem CID88677444
Molecular FormulaC10H27N5O2
Molecular Weight249.36 g/mol
Exact Mass249.22
IUPAC Name1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
SMILESNCCNCCNCC(O)C(O)CNCCN
InChIInChI=1S/C10H27N5O2/c11-1-3-13-5-6-15-8-10(17)9(16)7-14-4-2-12/h9-10,13-17H,1-8,11-12H2
InChIKeyCUJLYWPWZNSKQF-UHFFFAOYSA-N
XLogP-3.61
TPSA128.59 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 5-3.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-1-amino-4-(3-aminopropylamino)butane-2,3-diol
CID 11066068
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
CID 6398134
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
3-[2-(2-aminoethylamino)ethylamino]butane-1,2,4-triol
CID 15327768
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol?
The IUPAC name of 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol (CID 88677444) is 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol.
What is the SMILES notation for 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol?
The canonical SMILES for 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol is NCCNCCNCC(O)C(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol?
The InChIKey is CUJLYWPWZNSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N5O2/c11-1-3-13-5-6-15-8-10(17)9(16)7-14-4-2-12/h9-10,13-17H,1-8,11-12H2.
What are the key properties of 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol?
1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol has a molecular weight of 249.36 g/mol, XLogP of -3.61, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol is sourced from PubChem (CID 88677444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).