N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine

C12H28NO2P — CID 58184214

IUPACN-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCCOP(OCCC)N(C(C)C)C(C)C
InChIInChI=1S/C12H28NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyJVYXMBFXLVLOQO-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.19
Rot. Bonds9

About N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine

N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 58184214) has the molecular formula C12H28NO2P and a molecular weight of 249.33 g/mol. Its IUPAC name is N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID58184214
Molecular FormulaC12H28NO2P
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC NameN-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCCOP(OCCC)N(C(C)C)C(C)C
InChIInChI=1S/C12H28NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyJVYXMBFXLVLOQO-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 58184214) is N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine is CCCOP(OCCC)N(C(C)C)C(C)C.
What is the InChIKey of N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is JVYXMBFXLVLOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58184214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).