2-aminoethyl 2-methylbutyl phosphite

C7H17NO3P- — CID 59668450

IUPAC2-aminoethyl 2-methylbutyl phosphite
SMILESCCC(C)COP([O-])OCCN
InChIInChI=1S/C7H17NO3P/c1-3-7(2)6-11-12(9)10-5-4-8/h7H,3-6,8H2,1-2H3/q-1
InChIKeyZYCPXFFLMHTKBK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.61
Rot. Bonds7

About 2-aminoethyl 2-methylbutyl phosphite

2-aminoethyl 2-methylbutyl phosphite (PubChem CID 59668450) has the molecular formula C7H17NO3P- and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-aminoethyl 2-methylbutyl phosphite.

Molecular Properties

Compound Name2-aminoethyl 2-methylbutyl phosphite
PubChem CID59668450
Molecular FormulaC7H17NO3P-
Molecular Weight194.19 g/mol
Exact Mass194.10
IUPAC Name2-aminoethyl 2-methylbutyl phosphite
SMILESCCC(C)COP([O-])OCCN
InChIInChI=1S/C7H17NO3P/c1-3-7(2)6-11-12(9)10-5-4-8/h7H,3-6,8H2,1-2H3/q-1
InChIKeyZYCPXFFLMHTKBK-UHFFFAOYSA-N
XLogP0.61
TPSA67.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
2-(7-methylnonoxy)ethanamine
CID 90169866
methane;1-methoxy-2-methylbutane
CID 159281556
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
2-methyl-1-pentan-3-yloxybutane
CID 23377308
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
2-propan-2-yloxyethanamine
CID 533866
2-methylbutoxymethanethiol
CID 129171178
2-(2-methylpentoxy)ethanamine
CID 62343431
1-(2-aminoethoxy)propan-1-ol
CID 87147915
2-(2-ethylbutoxy)ethanamine
CID 82929181

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylbutyl phosphite?
The IUPAC name of 2-aminoethyl 2-methylbutyl phosphite (CID 59668450) is 2-aminoethyl 2-methylbutyl phosphite.
What is the SMILES notation for 2-aminoethyl 2-methylbutyl phosphite?
The canonical SMILES for 2-aminoethyl 2-methylbutyl phosphite is CCC(C)COP([O-])OCCN.
What is the InChIKey of 2-aminoethyl 2-methylbutyl phosphite?
The InChIKey is ZYCPXFFLMHTKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3P/c1-3-7(2)6-11-12(9)10-5-4-8/h7H,3-6,8H2,1-2H3/q-1.
What are the key properties of 2-aminoethyl 2-methylbutyl phosphite?
2-aminoethyl 2-methylbutyl phosphite has a molecular weight of 194.19 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylbutyl phosphite is sourced from PubChem (CID 59668450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).