N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine

C10H23Cl2N2O2PSi — CID 91740850

IUPACN,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine
SMILESC[Si](C)(C)N1CCCOP1(=O)N(CCCl)CCCl
InChIInChI=1S/C10H23Cl2N2O2PSi/c1-18(2,3)14-7-4-10-16-17(14,15)13(8-5-11)9-6-12/h4-10H2,1-3H3
InChIKeyWIDLXISGVZIWAO-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.43
Rot. Bonds6

About N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine

N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine (PubChem CID 91740850) has the molecular formula C10H23Cl2N2O2PSi and a molecular weight of 333.27 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine
PubChem CID91740850
Molecular FormulaC10H23Cl2N2O2PSi
Molecular Weight333.27 g/mol
Exact Mass332.06
IUPAC NameN,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine
SMILESC[Si](C)(C)N1CCCOP1(=O)N(CCCl)CCCl
InChIInChI=1S/C10H23Cl2N2O2PSi/c1-18(2,3)14-7-4-10-16-17(14,15)13(8-5-11)9-6-12/h4-10H2,1-3H3
InChIKeyWIDLXISGVZIWAO-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine with MolForge

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Related Compounds

Trofosfamide
CID 65702
L-Trofosfamide
CID 9576167
2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-methyl-, 2-oxide
CID 211031
2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-propyl-, 2-oxide
CID 211032
2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-butyl-, 2-oxide
CID 211033
D-Trofosfamide
CID 9576166
Trofosfamide-d4
CID 46783210
3-[tert-butyl(dimethyl)silyl]-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 325632
N,N-bis(1-chloroethyl)-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 135157302
N,3-bis(2-chloroethyl)-N-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 172857400
N,N,3-tris(2-chloroethyl)-4,4,6,6-tetradeuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 101771883
N,N-bis(2-chloro-2,2-dideuterioethyl)-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 101771885

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine?
The IUPAC name of N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine (CID 91740850) is N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine.
What is the SMILES notation for N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine?
The canonical SMILES for N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine is C[Si](C)(C)N1CCCOP1(=O)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine?
The InChIKey is WIDLXISGVZIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23Cl2N2O2PSi/c1-18(2,3)14-7-4-10-16-17(14,15)13(8-5-11)9-6-12/h4-10H2,1-3H3.
What are the key properties of N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine?
N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-2-oxo-3-trimethylsilyl-1,3,2λ5-oxazaphosphinan-2-amine is sourced from PubChem (CID 91740850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).