N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine

C10H22N3OP — CID 98572537

IUPACN-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine
SMILESCCN(CC)P(=O)(N1C[C@H]1C)N1C[C@@H]1C
InChIInChI=1S/C10H22N3OP/c1-5-11(6-2)15(14,12-7-9(12)3)13-8-10(13)4/h9-10H,5-8H2,1-4H3/t9-,10+,12?,13?,15?
InChIKeyXJQYOBYQBFQJBV-FPQZCMDOSA-N
MW231.28 g/mol
LogP1.84
Rot. Bonds5

About N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine

N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine (PubChem CID 98572537) has the molecular formula C10H22N3OP and a molecular weight of 231.28 g/mol. Its IUPAC name is N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine
PubChem CID98572537
Molecular FormulaC10H22N3OP
Molecular Weight231.28 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine
SMILESCCN(CC)P(=O)(N1C[C@H]1C)N1C[C@@H]1C
InChIInChI=1S/C10H22N3OP/c1-5-11(6-2)15(14,12-7-9(12)3)13-8-10(13)4/h9-10H,5-8H2,1-4H3/t9-,10+,12?,13?,15?
InChIKeyXJQYOBYQBFQJBV-FPQZCMDOSA-N
XLogP1.84
TPSA26.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine?
The IUPAC name of N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine (CID 98572537) is N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine is CCN(CC)P(=O)(N1C[C@H]1C)N1C[C@@H]1C.
What is the InChIKey of N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine?
The InChIKey is XJQYOBYQBFQJBV-FPQZCMDOSA-N. The full InChI is InChI=1S/C10H22N3OP/c1-5-11(6-2)15(14,12-7-9(12)3)13-8-10(13)4/h9-10H,5-8H2,1-4H3/t9-,10+,12?,13?,15?.
What are the key properties of N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine?
N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine has a molecular weight of 231.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine is sourced from PubChem (CID 98572537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).