N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine

C7H16N3O3P — CID 155323745

IUPACN-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCOP(=O)(NC1=NCCN1)OCC
InChIInChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)10-7-8-5-6-9-7/h3-6H2,1-2H3,(H2,8,9,10,11)
InChIKeyFRQXNSVQCUFVHS-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.72
Rot. Bonds5

About N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine

N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 155323745) has the molecular formula C7H16N3O3P and a molecular weight of 221.20 g/mol. Its IUPAC name is N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID155323745
Molecular FormulaC7H16N3O3P
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC NameN-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCOP(=O)(NC1=NCCN1)OCC
InChIInChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)10-7-8-5-6-9-7/h3-6H2,1-2H3,(H2,8,9,10,11)
InChIKeyFRQXNSVQCUFVHS-UHFFFAOYSA-N
XLogP0.72
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxycyclobutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 105413100
1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
CID 142858674
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
diethyl 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2,5-dimethylpyrrole-3,4-dicarboxylate;hydrobromide
CID 13126145
N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
CID 130344576
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89121666
2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 115606316
N-(2,2,3,3-tetramethylbutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 127013356
N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
CID 18996483
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
CID 70450555
2-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
CID 114401744

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine (CID 155323745) is N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine is CCOP(=O)(NC1=NCCN1)OCC.
What is the InChIKey of N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FRQXNSVQCUFVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)10-7-8-5-6-9-7/h3-6H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine?
N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 221.20 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 155323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).