6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine

C12H25N2OP — CID 156882622

IUPAC6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine
SMILESC#CCC(COCCCCCCNP)NC
InChIInChI=1S/C12H25N2OP/c1-3-8-12(13-2)11-15-10-7-5-4-6-9-14-16/h1,12-14H,4-11,16H2,2H3
InChIKeyLBLOZOQOAPUENT-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.55
Rot. Bonds11

About 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine

6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine (PubChem CID 156882622) has the molecular formula C12H25N2OP and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine.

Molecular Properties

Compound Name6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine
PubChem CID156882622
Molecular FormulaC12H25N2OP
Molecular Weight244.32 g/mol
Exact Mass244.17
IUPAC Name6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine
SMILESC#CCC(COCCCCCCNP)NC
InChIInChI=1S/C12H25N2OP/c1-3-8-12(13-2)11-15-10-7-5-4-6-9-14-16/h1,12-14H,4-11,16H2,2H3
InChIKeyLBLOZOQOAPUENT-UHFFFAOYSA-N
XLogP1.55
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine?
The IUPAC name of 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine (CID 156882622) is 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine.
What is the SMILES notation for 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine?
The canonical SMILES for 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine is C#CCC(COCCCCCCNP)NC.
What is the InChIKey of 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine?
The InChIKey is LBLOZOQOAPUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2OP/c1-3-8-12(13-2)11-15-10-7-5-4-6-9-14-16/h1,12-14H,4-11,16H2,2H3.
What are the key properties of 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine?
6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine has a molecular weight of 244.32 g/mol, XLogP of 1.55, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine is sourced from PubChem (CID 156882622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).