N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine

C9H20Cl3N2P — CID 13354586

IUPACN-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=NC(C)(C)C)C(Cl)Cl
InChIInChI=1S/C9H20Cl3N2P/c1-6-14(7-2)15(12,8(10)11)13-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyXYTQNXJFHYALNY-UHFFFAOYSA-N
MW293.61 g/mol
LogP5.16
Rot. Bonds4

About N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine

N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine (PubChem CID 13354586) has the molecular formula C9H20Cl3N2P and a molecular weight of 293.61 g/mol. Its IUPAC name is N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine
PubChem CID13354586
Molecular FormulaC9H20Cl3N2P
Molecular Weight293.61 g/mol
Exact Mass292.04
IUPAC NameN-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=NC(C)(C)C)C(Cl)Cl
InChIInChI=1S/C9H20Cl3N2P/c1-6-14(7-2)15(12,8(10)11)13-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyXYTQNXJFHYALNY-UHFFFAOYSA-N
XLogP5.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine (CID 13354586) is N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine is CCN(CC)P(Cl)(=NC(C)(C)C)C(Cl)Cl.
What is the InChIKey of N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine?
The InChIKey is XYTQNXJFHYALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20Cl3N2P/c1-6-14(7-2)15(12,8(10)11)13-9(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine?
N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine has a molecular weight of 293.61 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 13354586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).