(3S)-2-ethyl-1-methyl-3-propylaziridine

C8H17N — CID 118198557

IUPAC(3S)-2-ethyl-1-methyl-3-propylaziridine
SMILESCCC[C@H]1C(CC)N1C
InChIInChI=1S/C8H17N/c1-4-6-8-7(5-2)9(8)3/h7-8H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyYIMAWCRBAIZEJZ-MGURRDGZSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds3

About (3S)-2-ethyl-1-methyl-3-propylaziridine

(3S)-2-ethyl-1-methyl-3-propylaziridine (PubChem CID 118198557) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S)-2-ethyl-1-methyl-3-propylaziridine.

Molecular Properties

Compound Name(3S)-2-ethyl-1-methyl-3-propylaziridine
PubChem CID118198557
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S)-2-ethyl-1-methyl-3-propylaziridine
SMILESCCC[C@H]1C(CC)N1C
InChIInChI=1S/C8H17N/c1-4-6-8-7(5-2)9(8)3/h7-8H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyYIMAWCRBAIZEJZ-MGURRDGZSA-N
XLogP1.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-ethyl-1-methyl-3-propylaziridine?
The IUPAC name of (3S)-2-ethyl-1-methyl-3-propylaziridine (CID 118198557) is (3S)-2-ethyl-1-methyl-3-propylaziridine.
What is the SMILES notation for (3S)-2-ethyl-1-methyl-3-propylaziridine?
The canonical SMILES for (3S)-2-ethyl-1-methyl-3-propylaziridine is CCC[C@H]1C(CC)N1C.
What is the InChIKey of (3S)-2-ethyl-1-methyl-3-propylaziridine?
The InChIKey is YIMAWCRBAIZEJZ-MGURRDGZSA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-8-7(5-2)9(8)3/h7-8H,4-6H2,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of (3S)-2-ethyl-1-methyl-3-propylaziridine?
(3S)-2-ethyl-1-methyl-3-propylaziridine has a molecular weight of 127.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethyl-1-methyl-3-propylaziridine is sourced from PubChem (CID 118198557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).