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

C16H37N2OP — CID 14469998

IUPACN-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCCCCP(=O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37N2OP/c1-10-11-12-20(19,17(13(2)3)14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyHHTNHZVXZUBLOB-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.22
Rot. Bonds9

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

N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 14469998) has the molecular formula C16H37N2OP and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID14469998
Molecular FormulaC16H37N2OP
Molecular Weight304.46 g/mol
Exact Mass304.26
IUPAC NameN-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCCCCP(=O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37N2OP/c1-10-11-12-20(19,17(13(2)3)14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyHHTNHZVXZUBLOB-UHFFFAOYSA-N
XLogP5.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]phosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine (CID 14469998) is N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine is CCCCP(=O)(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]phosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is HHTNHZVXZUBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N2OP/c1-10-11-12-20(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]phosphoryl]-N-propan-2-ylpropan-2-amine?
N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).