dibutyl (1-chloroethylideneamino) phosphate

C10H21ClNO4P — CID 71335712

IUPACdibutyl (1-chloroethylideneamino) phosphate
SMILESCCCCOP(=O)(OCCCC)ON=C(C)Cl
InChIInChI=1S/C10H21ClNO4P/c1-4-6-8-14-17(13,15-9-7-5-2)16-12-10(3)11/h4-9H2,1-3H3
InChIKeyRJVFBSUQGBBOKQ-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.32
Rot. Bonds10

About dibutyl (1-chloroethylideneamino) phosphate

dibutyl (1-chloroethylideneamino) phosphate (PubChem CID 71335712) has the molecular formula C10H21ClNO4P and a molecular weight of 285.71 g/mol. Its IUPAC name is dibutyl (1-chloroethylideneamino) phosphate.

Molecular Properties

Compound Namedibutyl (1-chloroethylideneamino) phosphate
PubChem CID71335712
Molecular FormulaC10H21ClNO4P
Molecular Weight285.71 g/mol
Exact Mass285.09
IUPAC Namedibutyl (1-chloroethylideneamino) phosphate
SMILESCCCCOP(=O)(OCCCC)ON=C(C)Cl
InChIInChI=1S/C10H21ClNO4P/c1-4-6-8-14-17(13,15-9-7-5-2)16-12-10(3)11/h4-9H2,1-3H3
InChIKeyRJVFBSUQGBBOKQ-UHFFFAOYSA-N
XLogP4.32
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dibutyl (1-chloroethylideneamino) phosphate with MolForge

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

Launch Full Analysis

Related Compounds

N-(dipropyloxyphosphoryloxy)ethanimidoylchloride
CID 23417986
(1-Chloroethylideneamino) bis(2-methylpropyl) phosphate
CID 71335703
(1-Chloroethylideneamino) dipentyl phosphate
CID 71335704
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dihexoxyphosphoryloxy)ethanimidoylchloride
CID 129780277
N-(di-s-butoxyphosphoryloxy)ethanimidoylchloride
CID 129780633
N-(diisopropyloxyphosphoryloxy)ethanimidoylchloride
CID 129780789
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
dibutyl [(Z)-1-chloroethylideneamino] phosphate
CID 134994909
dibutyl [(E)-1,2-dichloroethylideneamino] phosphate
CID 10358608
[(E)-1-chlorobutylideneamino] diethyl phosphate
CID 10422609
(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride
CID 10423224

Frequently Asked Questions

What is the IUPAC name of dibutyl (1-chloroethylideneamino) phosphate?
The IUPAC name of dibutyl (1-chloroethylideneamino) phosphate (CID 71335712) is dibutyl (1-chloroethylideneamino) phosphate.
What is the SMILES notation for dibutyl (1-chloroethylideneamino) phosphate?
The canonical SMILES for dibutyl (1-chloroethylideneamino) phosphate is CCCCOP(=O)(OCCCC)ON=C(C)Cl.
What is the InChIKey of dibutyl (1-chloroethylideneamino) phosphate?
The InChIKey is RJVFBSUQGBBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClNO4P/c1-4-6-8-14-17(13,15-9-7-5-2)16-12-10(3)11/h4-9H2,1-3H3.
What are the key properties of dibutyl (1-chloroethylideneamino) phosphate?
dibutyl (1-chloroethylideneamino) phosphate has a molecular weight of 285.71 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl (1-chloroethylideneamino) phosphate is sourced from PubChem (CID 71335712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).