[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium

C10H26N4P+ — CID 102496413

IUPAC[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium
SMILESCC(C)N(C=[N+](C)C)P(N(C)C)N(C)C
InChIInChI=1S/C10H26N4P/c1-10(2)14(9-11(3)4)15(12(5)6)13(7)8/h9-10H,1-8H3/q+1
InChIKeyCRYSJESAFZSMBR-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.35
Rot. Bonds5

About [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium

[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium (PubChem CID 102496413) has the molecular formula C10H26N4P+ and a molecular weight of 233.32 g/mol. Its IUPAC name is [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium.

Molecular Properties

Compound Name[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium
PubChem CID102496413
Molecular FormulaC10H26N4P+
Molecular Weight233.32 g/mol
Exact Mass233.19
IUPAC Name[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium
SMILESCC(C)N(C=[N+](C)C)P(N(C)C)N(C)C
InChIInChI=1S/C10H26N4P/c1-10(2)14(9-11(3)4)15(12(5)6)13(7)8/h9-10H,1-8H3/q+1
InChIKeyCRYSJESAFZSMBR-UHFFFAOYSA-N
XLogP1.35
TPSA12.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium?
The IUPAC name of [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium (CID 102496413) is [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium.
What is the SMILES notation for [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium?
The canonical SMILES for [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium is CC(C)N(C=[N+](C)C)P(N(C)C)N(C)C.
What is the InChIKey of [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium?
The InChIKey is CRYSJESAFZSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4P/c1-10(2)14(9-11(3)4)15(12(5)6)13(7)8/h9-10H,1-8H3/q+1.
What are the key properties of [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium?
[bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium has a molecular weight of 233.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(dimethylamino)phosphanyl-propan-2-ylamino]methylidene-dimethylazanium is sourced from PubChem (CID 102496413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).