2-ethylbutanimidoylphosphonous acid

C6H14NO2P — CID 91569966

IUPAC2-ethylbutanimidoylphosphonous acid
SMILES[H]/N=C(/C(CC)CC)P(O)O
InChIInChI=1S/C6H14NO2P/c1-3-5(4-2)6(7)10(8)9/h5,7-9H,3-4H2,1-2H3/b7-6-
InChIKeyLISQAIZDSWXCCN-SREVYHEPSA-N
MW163.16 g/mol
LogP1.70
Rot. Bonds4

About 2-ethylbutanimidoylphosphonous acid

2-ethylbutanimidoylphosphonous acid (PubChem CID 91569966) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is 2-ethylbutanimidoylphosphonous acid.

Molecular Properties

Compound Name2-ethylbutanimidoylphosphonous acid
PubChem CID91569966
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Name2-ethylbutanimidoylphosphonous acid
SMILES[H]/N=C(/C(CC)CC)P(O)O
InChIInChI=1S/C6H14NO2P/c1-3-5(4-2)6(7)10(8)9/h5,7-9H,3-4H2,1-2H3/b7-6-
InChIKeyLISQAIZDSWXCCN-SREVYHEPSA-N
XLogP1.70
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentan-2-imine
CID 91583168
2-ethylbutanimidate;hydrochloride
CID 19082418
2-ethylpropanediimidamide;dihydrochloride
CID 87175836
1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium
CID 91186124
2-ethyl-N,N-dipropoxybutanimidamide
CID 159668750
tert-butyl 3-ethyl-2-iminopentanoate
CID 174619481
(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol
CID 135190101
2-iodo-1-phosphanylbutan-1-imine
CID 163498821
(1-amino-1-oxobutan-2-yl) carbamimidothioate
CID 65211982
methyl N-butan-2-yl-N-[ethylsulfanyl(methyl)carbamoyl]carbamimidate
CID 21441936
2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 174568449
3-imino-4-methylhexan-2-one
CID 174544860

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanimidoylphosphonous acid?
The IUPAC name of 2-ethylbutanimidoylphosphonous acid (CID 91569966) is 2-ethylbutanimidoylphosphonous acid.
What is the SMILES notation for 2-ethylbutanimidoylphosphonous acid?
The canonical SMILES for 2-ethylbutanimidoylphosphonous acid is [H]/N=C(/C(CC)CC)P(O)O.
What is the InChIKey of 2-ethylbutanimidoylphosphonous acid?
The InChIKey is LISQAIZDSWXCCN-SREVYHEPSA-N. The full InChI is InChI=1S/C6H14NO2P/c1-3-5(4-2)6(7)10(8)9/h5,7-9H,3-4H2,1-2H3/b7-6-.
What are the key properties of 2-ethylbutanimidoylphosphonous acid?
2-ethylbutanimidoylphosphonous acid has a molecular weight of 163.16 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanimidoylphosphonous acid is sourced from PubChem (CID 91569966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).