1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide

C9H20NOP — CID 147490974

IUPAC1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
SMILESCCN1CCP(=O)(C(C)C)CC1
InChIInChI=1S/C9H20NOP/c1-4-10-5-7-12(11,8-6-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyFFNBRGGNKCNWAF-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.09
Rot. Bonds2

About 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide

1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide (PubChem CID 147490974) has the molecular formula C9H20NOP and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
PubChem CID147490974
Molecular FormulaC9H20NOP
Molecular Weight189.24 g/mol
Exact Mass189.13
IUPAC Name1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
SMILESCCN1CCP(=O)(C(C)C)CC1
InChIInChI=1S/C9H20NOP/c1-4-10-5-7-12(11,8-6-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyFFNBRGGNKCNWAF-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.09
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 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide (CID 147490974) is 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide is CCN1CCP(=O)(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is FFNBRGGNKCNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NOP/c1-4-10-5-7-12(11,8-6-10)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 189.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 147490974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).