4-(2-aminoethylamino)butane-1,1-diol

C6H16N2O2 — CID 87239429

IUPAC4-(2-aminoethylamino)butane-1,1-diol
SMILESNCCNCCCC(O)O
InChIInChI=1S/C6H16N2O2/c7-3-5-8-4-1-2-6(9)10/h6,8-10H,1-5,7H2
InChIKeyMHTGPSBLSSDIFP-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.37
Rot. Bonds6

About 4-(2-aminoethylamino)butane-1,1-diol

4-(2-aminoethylamino)butane-1,1-diol (PubChem CID 87239429) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-(2-aminoethylamino)butane-1,1-diol.

Molecular Properties

Compound Name4-(2-aminoethylamino)butane-1,1-diol
PubChem CID87239429
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name4-(2-aminoethylamino)butane-1,1-diol
SMILESNCCNCCCC(O)O
InChIInChI=1S/C6H16N2O2/c7-3-5-8-4-1-2-6(9)10/h6,8-10H,1-5,7H2
InChIKeyMHTGPSBLSSDIFP-UHFFFAOYSA-N
XLogP-1.37
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
CID 6398134
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
14-aminotetradecane-1,1-diol
CID 87370531
1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
CID 88677444
8-(2-aminoethylamino)-2-methyloctan-4-ol
CID 123612148
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
CID 137382586
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)butane-1,1-diol?
The IUPAC name of 4-(2-aminoethylamino)butane-1,1-diol (CID 87239429) is 4-(2-aminoethylamino)butane-1,1-diol.
What is the SMILES notation for 4-(2-aminoethylamino)butane-1,1-diol?
The canonical SMILES for 4-(2-aminoethylamino)butane-1,1-diol is NCCNCCCC(O)O.
What is the InChIKey of 4-(2-aminoethylamino)butane-1,1-diol?
The InChIKey is MHTGPSBLSSDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c7-3-5-8-4-1-2-6(9)10/h6,8-10H,1-5,7H2.
What are the key properties of 4-(2-aminoethylamino)butane-1,1-diol?
4-(2-aminoethylamino)butane-1,1-diol has a molecular weight of 148.21 g/mol, XLogP of -1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)butane-1,1-diol is sourced from PubChem (CID 87239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).