N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine

C11H26NO2P — CID 87103481

IUPACN-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(OCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H26NO2P/c1-10(2,3)9-14-15(13,12(7)8)11(4,5)6/h9H2,1-8H3
InChIKeyXPDJWMNKYXCLCS-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.60
Rot. Bonds3

About N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine

N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine (PubChem CID 87103481) has the molecular formula C11H26NO2P and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine
PubChem CID87103481
Molecular FormulaC11H26NO2P
Molecular Weight235.31 g/mol
Exact Mass235.17
IUPAC NameN-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(OCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H26NO2P/c1-10(2,3)9-14-15(13,12(7)8)11(4,5)6/h9H2,1-8H3
InChIKeyXPDJWMNKYXCLCS-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine (CID 87103481) is N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine is CN(C)P(=O)(OCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine?
The InChIKey is XPDJWMNKYXCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2P/c1-10(2,3)9-14-15(13,12(7)8)11(4,5)6/h9H2,1-8H3.
What are the key properties of N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine?
N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine has a molecular weight of 235.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 87103481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).