N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine

C13H26NOP — CID 129228095

IUPACN-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCCCCOPN(C(C)C)C(C)C
InChIInChI=1S/C13H26NOP/c1-6-7-8-9-10-11-15-16-14(12(2)3)13(4)5/h1,12-13,16H,7-11H2,2-5H3
InChIKeyUNILCEXPISEQFR-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.82
Rot. Bonds9

About N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine

N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 129228095) has the molecular formula C13H26NOP and a molecular weight of 243.33 g/mol. Its IUPAC name is N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID129228095
Molecular FormulaC13H26NOP
Molecular Weight243.33 g/mol
Exact Mass243.18
IUPAC NameN-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCCCCOPN(C(C)C)C(C)C
InChIInChI=1S/C13H26NOP/c1-6-7-8-9-10-11-15-16-14(12(2)3)13(4)5/h1,12-13,16H,7-11H2,2-5H3
InChIKeyUNILCEXPISEQFR-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 129228095) is N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is C#CCCCCCOPN(C(C)C)C(C)C.
What is the InChIKey of N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is UNILCEXPISEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NOP/c1-6-7-8-9-10-11-15-16-14(12(2)3)13(4)5/h1,12-13,16H,7-11H2,2-5H3.
What are the key properties of N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 129228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).