N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine

C11H22NOP — CID 129228091

IUPACN-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCC(C)OPN(C(C)C)C(C)C
InChIInChI=1S/C11H22NOP/c1-7-8-11(6)13-14-12(9(2)3)10(4)5/h1,9-11,14H,8H2,2-6H3
InChIKeyWMCBCVKGPXTBEI-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.04
Rot. Bonds6

About N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine

N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 129228091) has the molecular formula C11H22NOP and a molecular weight of 215.28 g/mol. Its IUPAC name is N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID129228091
Molecular FormulaC11H22NOP
Molecular Weight215.28 g/mol
Exact Mass215.14
IUPAC NameN-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCC(C)OPN(C(C)C)C(C)C
InChIInChI=1S/C11H22NOP/c1-7-8-11(6)13-14-12(9(2)3)10(4)5/h1,9-11,14H,8H2,2-6H3
InChIKeyWMCBCVKGPXTBEI-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 129228091) is N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine is C#CCC(C)OPN(C(C)C)C(C)C.
What is the InChIKey of N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is WMCBCVKGPXTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NOP/c1-7-8-11(6)13-14-12(9(2)3)10(4)5/h1,9-11,14H,8H2,2-6H3.
What are the key properties of N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 129228091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).