CID 90078732

C14H28B2N3O4P — CID 90078732

IUPAC—
SMILES[B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(CC)C2)O1
InChIInChI=1S/C14H28B2N3O4P/c1-5-11-7-19(9-14(16)22-11)24(20,17(2)3)21-10-12-6-18(4)8-13(15)23-12/h11-14H,5-10H2,1-4H3
InChIKeyHFHXGDIXQXBPLL-UHFFFAOYSA-N
MW354.99 g/mol
LogP0.10
Rot. Bonds6

About CID 90078732

CID 90078732 (PubChem CID 90078732) has the molecular formula C14H28B2N3O4P and a molecular weight of 354.99 g/mol.

Molecular Properties

Compound NameCID 90078732
PubChem CID90078732
Molecular FormulaC14H28B2N3O4P
Molecular Weight354.99 g/mol
Exact Mass355.20
IUPAC Name—
SMILES[B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(CC)C2)O1
InChIInChI=1S/C14H28B2N3O4P/c1-5-11-7-19(9-14(16)22-11)24(20,17(2)3)21-10-12-6-18(4)8-13(15)23-12/h11-14H,5-10H2,1-4H3
InChIKeyHFHXGDIXQXBPLL-UHFFFAOYSA-N
XLogP0.10
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.99
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 20789577
CID 20789577
2-[[(2-Ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine
CID 21040814
CID 21063286
CID 21063286
CID 22088440
CID 22088440
CID 58354061
CID 58354061
CID 58792633
CID 58792633
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 59042019
CID 59899462
CID 59899462
CID 60052999
CID 60052999
N-[methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 68354872
CID 88530029
CID 88530029
CID 88562428
CID 88562428

Frequently Asked Questions

What is the IUPAC name of CID 90078732?
The IUPAC name of CID 90078732 (CID 90078732) is not available.
What is the SMILES notation for CID 90078732?
The canonical SMILES for CID 90078732 is [B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(CC)C2)O1.
What is the InChIKey of CID 90078732?
The InChIKey is HFHXGDIXQXBPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B2N3O4P/c1-5-11-7-19(9-14(16)22-11)24(20,17(2)3)21-10-12-6-18(4)8-13(15)23-12/h11-14H,5-10H2,1-4H3.
What are the key properties of CID 90078732?
CID 90078732 has a molecular weight of 354.99 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90078732 is sourced from PubChem (CID 90078732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).