N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine

C10H24NOP — CID 22223470

IUPACN-butoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCCCOPN(C(C)C)C(C)C
InChIInChI=1S/C10H24NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyKNLJUFRGTJZSKV-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.43
Rot. Bonds7

About N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine

N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 22223470) has the molecular formula C10H24NOP and a molecular weight of 205.28 g/mol. Its IUPAC name is N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-butoxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID22223470
Molecular FormulaC10H24NOP
Molecular Weight205.28 g/mol
Exact Mass205.16
IUPAC NameN-butoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCCCOPN(C(C)C)C(C)C
InChIInChI=1S/C10H24NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyKNLJUFRGTJZSKV-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 22223470) is N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine is CCCCOPN(C(C)C)C(C)C.
What is the InChIKey of N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is KNLJUFRGTJZSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22223470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).