3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium

C18H35FmN3O6P- — CID 171812021

IUPAC3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCN[C-]=O.[Fm]
InChIInChI=1S/C18H35N3O6P.Fm/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22;/h17-18H,5,7-15H2,1-4H3,(H,20,22);/q-1;
InChIKeyLYIDHWSIQDGIGX-UHFFFAOYSA-N
MW677.47 g/mol
LogP1.99
Rot. Bonds20

About 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium

3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium (PubChem CID 171812021) has the molecular formula C18H35FmN3O6P- and a molecular weight of 677.47 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium
PubChem CID171812021
Molecular FormulaC18H35FmN3O6P-
Molecular Weight677.47 g/mol
Exact Mass677.32
IUPAC Name3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCN[C-]=O.[Fm]
InChIInChI=1S/C18H35N3O6P.Fm/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22;/h17-18H,5,7-15H2,1-4H3,(H,20,22);/q-1;
InChIKeyLYIDHWSIQDGIGX-UHFFFAOYSA-N
XLogP1.99
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium?
The IUPAC name of 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium (CID 171812021) is 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium is CC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCN[C-]=O.[Fm].
What is the InChIKey of 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium?
The InChIKey is LYIDHWSIQDGIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O6P.Fm/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22;/h17-18H,5,7-15H2,1-4H3,(H,20,22);/q-1;.
What are the key properties of 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium?
3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium has a molecular weight of 677.47 g/mol, XLogP of 1.99, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile;fermium is sourced from PubChem (CID 171812021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).