[bis(2-methylpropyl)amino]-chloro-oxophosphanium

C8H18ClNOP+ — CID 18689409

IUPAC[bis(2-methylpropyl)amino]-chloro-oxophosphanium
SMILESCC(C)CN(CC(C)C)[P+](=O)Cl
InChIInChI=1S/C8H18ClNOP/c1-7(2)5-10(12(9)11)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyYDAYEOKYSAHGNM-UHFFFAOYSA-N
MW210.67 g/mol
LogP3.50
Rot. Bonds5

About [bis(2-methylpropyl)amino]-chloro-oxophosphanium

[bis(2-methylpropyl)amino]-chloro-oxophosphanium (PubChem CID 18689409) has the molecular formula C8H18ClNOP+ and a molecular weight of 210.67 g/mol. Its IUPAC name is [bis(2-methylpropyl)amino]-chloro-oxophosphanium.

Molecular Properties

Compound Name[bis(2-methylpropyl)amino]-chloro-oxophosphanium
PubChem CID18689409
Molecular FormulaC8H18ClNOP+
Molecular Weight210.67 g/mol
Exact Mass210.08
IUPAC Name[bis(2-methylpropyl)amino]-chloro-oxophosphanium
SMILESCC(C)CN(CC(C)C)[P+](=O)Cl
InChIInChI=1S/C8H18ClNOP/c1-7(2)5-10(12(9)11)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyYDAYEOKYSAHGNM-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(2-methylpropyl)amino]-chloro-oxophosphanium?
The IUPAC name of [bis(2-methylpropyl)amino]-chloro-oxophosphanium (CID 18689409) is [bis(2-methylpropyl)amino]-chloro-oxophosphanium.
What is the SMILES notation for [bis(2-methylpropyl)amino]-chloro-oxophosphanium?
The canonical SMILES for [bis(2-methylpropyl)amino]-chloro-oxophosphanium is CC(C)CN(CC(C)C)[P+](=O)Cl.
What is the InChIKey of [bis(2-methylpropyl)amino]-chloro-oxophosphanium?
The InChIKey is YDAYEOKYSAHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNOP/c1-7(2)5-10(12(9)11)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of [bis(2-methylpropyl)amino]-chloro-oxophosphanium?
[bis(2-methylpropyl)amino]-chloro-oxophosphanium has a molecular weight of 210.67 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylpropyl)amino]-chloro-oxophosphanium is sourced from PubChem (CID 18689409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).