2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine

C14H26N5P — CID 3638399

IUPAC2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine
SMILESCN(C)P(=Nc1ccccc1)(NCCN1CC1)N(C)C
InChIInChI=1S/C14H26N5P/c1-17(2)20(18(3)4,15-10-11-19-12-13-19)16-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeySIFDAZTXEJAMDI-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.29
Rot. Bonds7

About 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine

2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine (PubChem CID 3638399) has the molecular formula C14H26N5P and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine.

Molecular Properties

Compound Name2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine
PubChem CID3638399
Molecular FormulaC14H26N5P
Molecular Weight295.37 g/mol
Exact Mass295.19
IUPAC Name2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine
SMILESCN(C)P(=Nc1ccccc1)(NCCN1CC1)N(C)C
InChIInChI=1S/C14H26N5P/c1-17(2)20(18(3)4,15-10-11-19-12-13-19)16-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeySIFDAZTXEJAMDI-UHFFFAOYSA-N
XLogP2.29
TPSA33.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine?
The IUPAC name of 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine (CID 3638399) is 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine.
What is the SMILES notation for 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine?
The canonical SMILES for 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine is CN(C)P(=Nc1ccccc1)(NCCN1CC1)N(C)C.
What is the InChIKey of 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine?
The InChIKey is SIFDAZTXEJAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N5P/c1-17(2)20(18(3)4,15-10-11-19-12-13-19)16-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3.
What are the key properties of 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine?
2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine has a molecular weight of 295.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-N-[bis(dimethylamino)-phenylimino-lambda5-phosphanyl]ethanamine is sourced from PubChem (CID 3638399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).