butoxy-N,N-di(propan-2-yl)phosphonamidous acid

C10H24NO2P — CID 87549507

IUPACbutoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCCCCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C10H24NO2P/c1-6-7-8-13-14(12)11(9(2)3)10(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyPKWRXSXWZWSJHV-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.14
Rot. Bonds7

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

butoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 87549507) has the molecular formula C10H24NO2P and a molecular weight of 221.28 g/mol. Its IUPAC name is butoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Namebutoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID87549507
Molecular FormulaC10H24NO2P
Molecular Weight221.28 g/mol
Exact Mass221.15
IUPAC Namebutoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCCCCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C10H24NO2P/c1-6-7-8-13-14(12)11(9(2)3)10(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyPKWRXSXWZWSJHV-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dibutyl N,N-dipropan-2-ylphosphoramidoite
CID 114260
Dimethyl N,N-diisopropylphosphoramidite
CID 5171659
3'-O-ethyl-N,N-diisopropylphosphoramidite
CID 195451
Diethyl N,N-diethylphosphoramidoite
CID 1520880
Dibutyl diethylphosphoramidate
CID 246574
methoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 10176368
2-Cyanoethyl Hydrogen Diisopropylphosphoramidite
CID 10751287
N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 22328429
N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine
CID 24741655
N-diethoxyphosphoryl-N-propan-2-ylpropan-1-amine
CID 85726174
N-diethoxyphosphoryl-N-methylpropan-2-amine
CID 85957010
N-dipropoxyphosphoryl-N-methylpropan-2-amine
CID 85957017

Frequently Asked Questions

What is the IUPAC name of butoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of butoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 87549507) is butoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for butoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for butoxy-N,N-di(propan-2-yl)phosphonamidous acid is CCCCOP(O)N(C(C)C)C(C)C.
What is the InChIKey of butoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is PKWRXSXWZWSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2P/c1-6-7-8-13-14(12)11(9(2)3)10(4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of butoxy-N,N-di(propan-2-yl)phosphonamidous acid?
butoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 221.28 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 87549507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).