1-[(2R)-3-iodo-2-methylpropyl]aziridine

C6H12IN — CID 163538193

IUPAC1-[(2R)-3-iodo-2-methylpropyl]aziridine
SMILESCC(CI)CN1CC1
InChIInChI=1S/C6H12IN/c1-6(4-7)5-8-2-3-8/h6H,2-5H2,1H3
InChIKeyDYUSAMRDWVSJQB-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.37
Rot. Bonds3

About 1-[(2R)-3-iodo-2-methylpropyl]aziridine

1-[(2R)-3-iodo-2-methylpropyl]aziridine (PubChem CID 163538193) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 1-[(2R)-3-iodo-2-methylpropyl]aziridine.

Molecular Properties

Compound Name1-[(2R)-3-iodo-2-methylpropyl]aziridine
PubChem CID163538193
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name1-[(2R)-3-iodo-2-methylpropyl]aziridine
SMILESCC(CI)CN1CC1
InChIInChI=1S/C6H12IN/c1-6(4-7)5-8-2-3-8/h6H,2-5H2,1H3
InChIKeyDYUSAMRDWVSJQB-UHFFFAOYSA-N
XLogP1.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 63900205
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanethioamide
CID 62777249
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-iodo-2-methylpropyl]aziridine?
The IUPAC name of 1-[(2R)-3-iodo-2-methylpropyl]aziridine (CID 163538193) is 1-[(2R)-3-iodo-2-methylpropyl]aziridine.
What is the SMILES notation for 1-[(2R)-3-iodo-2-methylpropyl]aziridine?
The canonical SMILES for 1-[(2R)-3-iodo-2-methylpropyl]aziridine is CC(CI)CN1CC1.
What is the InChIKey of 1-[(2R)-3-iodo-2-methylpropyl]aziridine?
The InChIKey is DYUSAMRDWVSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-6(4-7)5-8-2-3-8/h6H,2-5H2,1H3.
What are the key properties of 1-[(2R)-3-iodo-2-methylpropyl]aziridine?
1-[(2R)-3-iodo-2-methylpropyl]aziridine has a molecular weight of 225.07 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-iodo-2-methylpropyl]aziridine is sourced from PubChem (CID 163538193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).