N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine

C14H24NO2P — CID 24984157

IUPACN-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCOP(OCCC#C)N(C(C)C)C(C)C
InChIInChI=1S/C14H24NO2P/c1-7-9-11-16-18(17-12-10-8-2)15(13(3)4)14(5)6/h1-2,13-14H,9-12H2,3-6H3
InChIKeyDTNKKOSDPCYNQI-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.41
Rot. Bonds9

About N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine

N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 24984157) has the molecular formula C14H24NO2P and a molecular weight of 269.32 g/mol. Its IUPAC name is N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID24984157
Molecular FormulaC14H24NO2P
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC NameN-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCOP(OCCC#C)N(C(C)C)C(C)C
InChIInChI=1S/C14H24NO2P/c1-7-9-11-16-18(17-12-10-8-2)15(13(3)4)14(5)6/h1-2,13-14H,9-12H2,3-6H3
InChIKeyDTNKKOSDPCYNQI-UHFFFAOYSA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.41
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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Related Compounds

3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 147538116
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile
CID 10006330
3-[[di(propan-2-yl)amino]-[3-methyl-3-(3-methylbutoxy)butoxy]phosphanyl]oxypropanenitrile;ethane
CID 170645688
3-[(4-amino-2-methoxybutoxy)-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 138485326
bis(but-3-ynoxy)-chlorophosphane
CID 59593919
3-[1-bicyclo[1.1.1]pentanyloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 153336220

Frequently Asked Questions

What is the IUPAC name of N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine (CID 24984157) is N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine is C#CCCOP(OCCC#C)N(C(C)C)C(C)C.
What is the InChIKey of N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is DTNKKOSDPCYNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO2P/c1-7-9-11-16-18(17-12-10-8-2)15(13(3)4)14(5)6/h1-2,13-14H,9-12H2,3-6H3.
What are the key properties of N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 24984157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).