(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol

C21H50N4O7 — CID 177356981

IUPAC(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol
SMILESC/C(=C/NCCOCCOCCOCCN)NN.CC.CC.OCC1OCCC(O)C1O
InChIInChI=1S/C11H26N4O3.C6H12O4.2C2H6/c1-11(15-13)10-14-3-5-17-7-9-18-8-6-16-4-2-12;7-3-5-6(9)4(8)1-2-10-5;2*1-2/h10,14-15H,2-9,12-13H2,1H3;4-9H,1-3H2;2*1-2H3/b11-10-;;;
InChIKeyAJGHCHDCKMHVJV-RVVQQURLSA-N
MW470.65 g/mol
LogP-0.55
Rot. Bonds14

About (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol

(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 177356981) has the molecular formula C21H50N4O7 and a molecular weight of 470.65 g/mol. Its IUPAC name is (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol
PubChem CID177356981
Molecular FormulaC21H50N4O7
Molecular Weight470.65 g/mol
Exact Mass470.37
IUPAC Name(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol
SMILESC/C(=C/NCCOCCOCCOCCN)NN.CC.CC.OCC1OCCC(O)C1O
InChIInChI=1S/C11H26N4O3.C6H12O4.2C2H6/c1-11(15-13)10-14-3-5-17-7-9-18-8-6-16-4-2-12;7-3-5-6(9)4(8)1-2-10-5;2*1-2/h10,14-15H,2-9,12-13H2,1H3;4-9H,1-3H2;2*1-2H3/b11-10-;;;
InChIKeyAJGHCHDCKMHVJV-RVVQQURLSA-N
XLogP-0.55
TPSA173.71 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500470.65
LogP ≤ 5-0.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
CID 129015327
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060
N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide
CID 177155402
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide
CID 144963347
2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol
CID 169106463
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (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) is (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol is C/C(=C/NCCOCCOCCOCCN)NN.CC.CC.OCC1OCCC(O)C1O.
What is the InChIKey of (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is AJGHCHDCKMHVJV-RVVQQURLSA-N. The full InChI is InChI=1S/C11H26N4O3.C6H12O4.2C2H6/c1-11(15-13)10-14-3-5-17-7-9-18-8-6-16-4-2-12;7-3-5-6(9)4(8)1-2-10-5;2*1-2/h10,14-15H,2-9,12-13H2,1H3;4-9H,1-3H2;2*1-2H3/b11-10-;;;.
What are the key properties of (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol?
(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 470.65 g/mol, XLogP of -0.55, 14 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 177356981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).