1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine

C89H129N35O10 — CID 159679357

IUPAC1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine
SMILESC.C.C.C.C.C#CCNCC#C.C#CCNc1nc(NCC#C)nc(NCC#C)n1.C#CCOCC#C.C#CCOc1cc(OCC#C)cc(OCC#C)c1.C#CCOc1cccc(OCC#C)c1OCC#C.CCC(CO)(CN=[N+]=[N-])CN=[N+]=[N-].CCC(CO)(CO)CN=[N+]=[N-].CCC(N)(CN=[N+]=[N-])CN=[N+]=[N-].CCCCNc1nc(NCCCN=[N+]=[N-])nc(NCCCN=[N+]=[N-])n1
InChIInChI=1S/2C15H12O3.C13H24N12.C12H12N6.C6H12N6O.C6H13N3O2.C6H7N.C6H6O.C5H11N7.5CH4/c1-4-10-16-13-8-7-9-14(17-11-5-2)15(13)18-12-6-3;1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3;1-2-3-6-16-11-21-12(17-7-4-9-19-24-14)23-13(22-11)18-8-5-10-20-25-15;1-4-7-13-10-16-11(14-8-5-2)18-12(17-10)15-9-6-3;1-2-6(5-13,3-9-11-7)4-10-12-8;1-2-6(4-10,5-11)3-8-9-7;2*1-3-5-7-6-4-2;1-2-5(6,3-9-11-7)4-10-12-8;;;;;/h1-3,7-9H,10-12H2;1-3,10-12H,7-9H2;2-10H2,1H3,(H3,16,17,18,21,22,23);1-3H,7-9H2,(H3,13,14,15,16,17,18);13H,2-5H2,1H3;10-11H,2-5H2,1H3;1-2,7H,5-6H2;1-2H,5-6H2;2-4,6H2,1H3;5*1H4
InChIKeyMVACRXABIUPDMD-UHFFFAOYSA-N
MW1849.25 g/mol
LogP14.44
Rot. Bonds52

About 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine

1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 159679357) has the molecular formula C89H129N35O10 and a molecular weight of 1849.25 g/mol. Its IUPAC name is 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID159679357
Molecular FormulaC89H129N35O10
Molecular Weight1849.25 g/mol
Exact Mass1848.07
IUPAC Name1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine
SMILESC.C.C.C.C.C#CCNCC#C.C#CCNc1nc(NCC#C)nc(NCC#C)n1.C#CCOCC#C.C#CCOc1cc(OCC#C)cc(OCC#C)c1.C#CCOc1cccc(OCC#C)c1OCC#C.CCC(CO)(CN=[N+]=[N-])CN=[N+]=[N-].CCC(CO)(CO)CN=[N+]=[N-].CCC(N)(CN=[N+]=[N-])CN=[N+]=[N-].CCCCNc1nc(NCCCN=[N+]=[N-])nc(NCCCN=[N+]=[N-])n1
InChIInChI=1S/2C15H12O3.C13H24N12.C12H12N6.C6H12N6O.C6H13N3O2.C6H7N.C6H6O.C5H11N7.5CH4/c1-4-10-16-13-8-7-9-14(17-11-5-2)15(13)18-12-6-3;1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3;1-2-3-6-16-11-21-12(17-7-4-9-19-24-14)23-13(22-11)18-8-5-10-20-25-15;1-4-7-13-10-16-11(14-8-5-2)18-12(17-10)15-9-6-3;1-2-6(5-13,3-9-11-7)4-10-12-8;1-2-6(4-10,5-11)3-8-9-7;2*1-3-5-7-6-4-2;1-2-5(6,3-9-11-7)4-10-12-8;;;;;/h1-3,7-9H,10-12H2;1-3,10-12H,7-9H2;2-10H2,1H3,(H3,16,17,18,21,22,23);1-3H,7-9H2,(H3,13,14,15,16,17,18);13H,2-5H2,1H3;10-11H,2-5H2,1H3;1-2,7H,5-6H2;1-2H,5-6H2;2-4,6H2,1H3;5*1H4
InChIKeyMVACRXABIUPDMD-UHFFFAOYSA-N
XLogP14.44
TPSA654.19 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds52
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.25
LogP ≤ 514.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine (CID 159679357) is 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine is C.C.C.C.C.C#CCNCC#C.C#CCNc1nc(NCC#C)nc(NCC#C)n1.C#CCOCC#C.C#CCOc1cc(OCC#C)cc(OCC#C)c1.C#CCOc1cccc(OCC#C)c1OCC#C.CCC(CO)(CN=[N+]=[N-])CN=[N+]=[N-].CCC(CO)(CO)CN=[N+]=[N-].CCC(N)(CN=[N+]=[N-])CN=[N+]=[N-].CCCCNc1nc(NCCCN=[N+]=[N-])nc(NCCCN=[N+]=[N-])n1.
What is the InChIKey of 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MVACRXABIUPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12O3.C13H24N12.C12H12N6.C6H12N6O.C6H13N3O2.C6H7N.C6H6O.C5H11N7.5CH4/c1-4-10-16-13-8-7-9-14(17-11-5-2)15(13)18-12-6-3;1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3;1-2-3-6-16-11-21-12(17-7-4-9-19-24-14)23-13(22-11)18-8-5-10-20-25-15;1-4-7-13-10-16-11(14-8-5-2)18-12(17-10)15-9-6-3;1-2-6(5-13,3-9-11-7)4-10-12-8;1-2-6(4-10,5-11)3-8-9-7;2*1-3-5-7-6-4-2;1-2-5(6,3-9-11-7)4-10-12-8;;;;;/h1-3,7-9H,10-12H2;1-3,10-12H,7-9H2;2-10H2,1H3,(H3,16,17,18,21,22,23);1-3H,7-9H2,(H3,13,14,15,16,17,18);13H,2-5H2,1H3;10-11H,2-5H2,1H3;1-2,7H,5-6H2;1-2H,5-6H2;2-4,6H2,1H3;5*1H4.
What are the key properties of 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine?
1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1849.25 g/mol, XLogP of 14.44, 52 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(azidomethyl)butan-2-amine;2-(azidomethyl)-2-ethylpropane-1,3-diol;2,2-bis(azidomethyl)butan-1-ol;2-N,4-N-bis(3-azidopropyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;methane;3-prop-2-ynoxyprop-1-yne;N-prop-2-ynylprop-2-yn-1-amine;1,2,3-tris(prop-2-ynoxy)benzene;1,3,5-tris(prop-2-ynoxy)benzene;2-N,4-N,6-N-tris(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159679357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).