3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid

C9H21N2O2P — CID 88915022

IUPAC3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILES[H]/N=C/CCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H21N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h6,8-10,12H,5,7H2,1-4H3/b10-6+
InChIKeyDTLRPPXPYHXJFX-UXBLZVDNSA-N
MW220.25 g/mol
LogP2.38
Rot. Bonds7

About 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid

3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 88915022) has the molecular formula C9H21N2O2P and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID88915022
Molecular FormulaC9H21N2O2P
Molecular Weight220.25 g/mol
Exact Mass220.13
IUPAC Name3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILES[H]/N=C/CCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H21N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h6,8-10,12H,5,7H2,1-4H3/b10-6+
InChIKeyDTLRPPXPYHXJFX-UXBLZVDNSA-N
XLogP2.38
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 88915022) is 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid is [H]/N=C/CCOP(O)N(C(C)C)C(C)C.
What is the InChIKey of 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is DTLRPPXPYHXJFX-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H21N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h6,8-10,12H,5,7H2,1-4H3/b10-6+.
What are the key properties of 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 220.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 88915022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).