(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol

C12H28N2O4 — CID 166480153

IUPAC(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
SMILESCC.CC/C(N)=C/N.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.C4H10N2.C2H6/c7-3-5-6(9)4(8)1-2-10-5;1-2-4(6)3-5;1-2/h4-9H,1-3H2;3H,2,5-6H2,1H3;1-2H3/b;4-3-;
InChIKeyVQOULGSYPIPBIF-LWFKIUJUSA-N
MW264.37 g/mol
LogP-0.33
Rot. Bonds2

About (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol

(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166480153) has the molecular formula C12H28N2O4 and a molecular weight of 264.37 g/mol. Its IUPAC name is (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166480153
Molecular FormulaC12H28N2O4
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
SMILESCC.CC/C(N)=C/N.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.C4H10N2.C2H6/c7-3-5-6(9)4(8)1-2-10-5;1-2-4(6)3-5;1-2/h4-9H,1-3H2;3H,2,5-6H2,1H3;1-2H3/b;4-3-;
InChIKeyVQOULGSYPIPBIF-LWFKIUJUSA-N
XLogP-0.33
TPSA121.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(3-ethyloxolan-2-yl)methanol
CID 139662526
(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 177356981
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873

Frequently Asked Questions

What is the IUPAC name of (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol (CID 166480153) is (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol is CC.CC/C(N)=C/N.OCC1OCCC(O)C1O.
What is the InChIKey of (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VQOULGSYPIPBIF-LWFKIUJUSA-N. The full InChI is InChI=1S/C6H12O4.C4H10N2.C2H6/c7-3-5-6(9)4(8)1-2-10-5;1-2-4(6)3-5;1-2/h4-9H,1-3H2;3H,2,5-6H2,1H3;1-2H3/b;4-3-;.
What are the key properties of (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 264.37 g/mol, XLogP of -0.33, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166480153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).