(2R,3S)-2,3-dipropylaziridine

C8H17N — CID 55299742

IUPAC(2R,3S)-2,3-dipropylaziridine
SMILESCCC[C@@H]1N[C@@H]1CCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9-7)6-4-2/h7-9H,3-6H2,1-2H3/t7-,8+
InChIKeyUNCRFBBLMFCLLD-OCAPTIKFSA-N
MW127.23 g/mol
LogP1.93
Rot. Bonds4

About (2R,3S)-2,3-dipropylaziridine

(2R,3S)-2,3-dipropylaziridine (PubChem CID 55299742) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R,3S)-2,3-dipropylaziridine.

Molecular Properties

Compound Name(2R,3S)-2,3-dipropylaziridine
PubChem CID55299742
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R,3S)-2,3-dipropylaziridine
SMILESCCC[C@@H]1N[C@@H]1CCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9-7)6-4-2/h7-9H,3-6H2,1-2H3/t7-,8+
InChIKeyUNCRFBBLMFCLLD-OCAPTIKFSA-N
XLogP1.93
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
3,5-dimethyl-2-propylpiperazine
CID 131195713
(2R)-2,5-dipropylpyrrolidine
CID 143543976
methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
2-(8-methylnon-8-enyl)-3-octylaziridine
CID 169210996
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
5-(3-ethylaziridin-2-yl)pentan-1-ol
CID 166798358
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
6-butyl-7-propylazepan-2-ol
CID 71040403
ethyl (2S,3R)-2,3-dihydroxy-3-[(2S,3R)-3-propylaziridin-2-yl]propanoate
CID 139248502
2-propylaziridine
CID 544792

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dipropylaziridine?
The IUPAC name of (2R,3S)-2,3-dipropylaziridine (CID 55299742) is (2R,3S)-2,3-dipropylaziridine.
What is the SMILES notation for (2R,3S)-2,3-dipropylaziridine?
The canonical SMILES for (2R,3S)-2,3-dipropylaziridine is CCC[C@@H]1N[C@@H]1CCC.
What is the InChIKey of (2R,3S)-2,3-dipropylaziridine?
The InChIKey is UNCRFBBLMFCLLD-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H17N/c1-3-5-7-8(9-7)6-4-2/h7-9H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (2R,3S)-2,3-dipropylaziridine?
(2R,3S)-2,3-dipropylaziridine has a molecular weight of 127.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dipropylaziridine is sourced from PubChem (CID 55299742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).