N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine

C12H28NO2P — CID 91369124

IUPACN-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine
SMILESCCOP(C)(=O)C(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-15-16(8,14)10(11(2,3)4)13-12(5,6)7/h10,13H,9H2,1-8H3
InChIKeyASBPMTXBWRSOKB-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.69
Rot. Bonds4

About N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine

N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine (PubChem CID 91369124) has the molecular formula C12H28NO2P and a molecular weight of 249.33 g/mol. Its IUPAC name is N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine
PubChem CID91369124
Molecular FormulaC12H28NO2P
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC NameN-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine
SMILESCCOP(C)(=O)C(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-15-16(8,14)10(11(2,3)4)13-12(5,6)7/h10,13H,9H2,1-8H3
InChIKeyASBPMTXBWRSOKB-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(methyl)phosphoryl]propanoic acid
CID 87306109
3-[ethoxy(methyl)phosphoryl]butan-2-one
CID 88588834
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
CID 10935280
CID 10935280
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
4-O-tert-butyl 1-O-ethyl 2-[ethoxy(methyl)phosphoryl]butanedioate
CID 158206263
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
CID 15266355
methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
CID 10468119

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine (CID 91369124) is N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine is CCOP(C)(=O)C(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine?
The InChIKey is ASBPMTXBWRSOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO2P/c1-9-15-16(8,14)10(11(2,3)4)13-12(5,6)7/h10,13H,9H2,1-8H3.
What are the key properties of N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine?
N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 91369124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).