N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine

C10H19ClNOP — CID 147538116

IUPACN-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC#CCCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C10H19ClNOP/c1-6-7-8-13-14(11)12(9(2)3)10(4)5/h1,9-10H,7-8H2,2-5H3
InChIKeyFOJFFCAVIQZGFF-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.61
Rot. Bonds6

About N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 147538116) has the molecular formula C10H19ClNOP and a molecular weight of 235.69 g/mol. Its IUPAC name is N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID147538116
Molecular FormulaC10H19ClNOP
Molecular Weight235.69 g/mol
Exact Mass235.09
IUPAC NameN-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC#CCCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C10H19ClNOP/c1-6-7-8-13-14(11)12(9(2)3)10(4)5/h1,9-10H,7-8H2,2-5H3
InChIKeyFOJFFCAVIQZGFF-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.61
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 147538116) is N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine is C#CCCOP(Cl)N(C(C)C)C(C)C.
What is the InChIKey of N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is FOJFFCAVIQZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClNOP/c1-6-7-8-13-14(11)12(9(2)3)10(4)5/h1,9-10H,7-8H2,2-5H3.
What are the key properties of N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 235.69 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 147538116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).