N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine

C17H35N2OP — CID 24766691

IUPACN-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC#CCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N2OP/c1-10-11-12-13-20-21(18(14(2)3)15(4)5)19(16(6)7)17(8)9/h1,14-17H,11-13H2,2-9H3
InChIKeyJLEFIXOQYQOBPA-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.88
Rot. Bonds10

About N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 24766691) has the molecular formula C17H35N2OP and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID24766691
Molecular FormulaC17H35N2OP
Molecular Weight314.45 g/mol
Exact Mass314.25
IUPAC NameN-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC#CCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N2OP/c1-10-11-12-13-20-21(18(14(2)3)15(4)5)19(16(6)7)17(8)9/h1,14-17H,11-13H2,2-9H3
InChIKeyJLEFIXOQYQOBPA-UHFFFAOYSA-N
XLogP4.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
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 N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 24766691) is N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine is C#CCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is JLEFIXOQYQOBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N2OP/c1-10-11-12-13-20-21(18(14(2)3)15(4)5)19(16(6)7)17(8)9/h1,14-17H,11-13H2,2-9H3.
What are the key properties of N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 314.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 24766691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).