[(2S)-2-phosphanylbutoxy]methanamine

C5H14NOP — CID 170364957

IUPAC[(2S)-2-phosphanylbutoxy]methanamine
SMILESCC[C@H](P)COCN
InChIInChI=1S/C5H14NOP/c1-2-5(8)3-7-4-6/h5H,2-4,6,8H2,1H3/t5-/m0/s1
InChIKeyGUHOBOFKSBAYRP-YFKPBYRVSA-N
MW135.15 g/mol
LogP0.57
Rot. Bonds4

About [(2S)-2-phosphanylbutoxy]methanamine

[(2S)-2-phosphanylbutoxy]methanamine (PubChem CID 170364957) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is [(2S)-2-phosphanylbutoxy]methanamine.

Molecular Properties

Compound Name[(2S)-2-phosphanylbutoxy]methanamine
PubChem CID170364957
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC Name[(2S)-2-phosphanylbutoxy]methanamine
SMILESCC[C@H](P)COCN
InChIInChI=1S/C5H14NOP/c1-2-5(8)3-7-4-6/h5H,2-4,6,8H2,1H3/t5-/m0/s1
InChIKeyGUHOBOFKSBAYRP-YFKPBYRVSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phosphanylbutoxy]methanamine?
The IUPAC name of [(2S)-2-phosphanylbutoxy]methanamine (CID 170364957) is [(2S)-2-phosphanylbutoxy]methanamine.
What is the SMILES notation for [(2S)-2-phosphanylbutoxy]methanamine?
The canonical SMILES for [(2S)-2-phosphanylbutoxy]methanamine is CC[C@H](P)COCN.
What is the InChIKey of [(2S)-2-phosphanylbutoxy]methanamine?
The InChIKey is GUHOBOFKSBAYRP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14NOP/c1-2-5(8)3-7-4-6/h5H,2-4,6,8H2,1H3/t5-/m0/s1.
What are the key properties of [(2S)-2-phosphanylbutoxy]methanamine?
[(2S)-2-phosphanylbutoxy]methanamine has a molecular weight of 135.15 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phosphanylbutoxy]methanamine is sourced from PubChem (CID 170364957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).