N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

C16H37N2P — CID 14249294

IUPACN-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37N2P/c1-10-11-12-19(17(13(2)3)14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyJEOHKJQLBPHADY-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.34
Rot. Bonds9

About N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14249294) has the molecular formula C16H37N2P and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID14249294
Molecular FormulaC16H37N2P
Molecular Weight288.46 g/mol
Exact Mass288.27
IUPAC NameN-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37N2P/c1-10-11-12-19(17(13(2)3)14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyJEOHKJQLBPHADY-UHFFFAOYSA-N
XLogP5.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 14249294) is N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is CCCCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is JEOHKJQLBPHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N2P/c1-10-11-12-19(17(13(2)3)14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3.
What are the key properties of N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14249294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).