2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate

C11H23N4O2P — CID 123829209

IUPAC2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate
SMILESCCC(CC)=N/C(N)=N/CCOCCOC=NP
InChIInChI=1S/C11H23N4O2P/c1-3-10(4-2)15-11(12)13-5-6-16-7-8-17-9-14-18/h9H,3-8,18H2,1-2H3,(H2,12,13)
InChIKeyYIPBYXCLHDFLHY-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.41
Rot. Bonds9

About 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate

2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate (PubChem CID 123829209) has the molecular formula C11H23N4O2P and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate.

Molecular Properties

Compound Name2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate
PubChem CID123829209
Molecular FormulaC11H23N4O2P
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate
SMILESCCC(CC)=N/C(N)=N/CCOCCOC=NP
InChIInChI=1S/C11H23N4O2P/c1-3-10(4-2)15-11(12)13-5-6-16-7-8-17-9-14-18/h9H,3-8,18H2,1-2H3,(H2,12,13)
InChIKeyYIPBYXCLHDFLHY-UHFFFAOYSA-N
XLogP1.41
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate?
The IUPAC name of 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate (CID 123829209) is 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate.
What is the SMILES notation for 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate?
The canonical SMILES for 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate is CCC(CC)=N/C(N)=N/CCOCCOC=NP.
What is the InChIKey of 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate?
The InChIKey is YIPBYXCLHDFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N4O2P/c1-3-10(4-2)15-11(12)13-5-6-16-7-8-17-9-14-18/h9H,3-8,18H2,1-2H3,(H2,12,13).
What are the key properties of 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate?
2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate has a molecular weight of 274.31 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate is sourced from PubChem (CID 123829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).