(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine

C10H19NO — CID 99770576

IUPAC(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine
SMILESC(CCC[C@H]1CO1)CC[C@H]1CN1
InChIInChI=1S/C10H19NO/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-11H,1-8H2/t9-,10-/m0/s1
InChIKeyKHNCSHCAAOUZFZ-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds7

About (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine

(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine (PubChem CID 99770576) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine.

Molecular Properties

Compound Name(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine
PubChem CID99770576
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine
SMILESC(CCC[C@H]1CO1)CC[C@H]1CN1
InChIInChI=1S/C10H19NO/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-11H,1-8H2/t9-,10-/m0/s1
InChIKeyKHNCSHCAAOUZFZ-UWVGGRQHSA-N
XLogP1.70
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-(25-chloropentacosyl)oxirane
CID 89371586
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
2-pentylaziridine
CID 19101061
(2R)-2-pentyloxirane
CID 11147691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine?
The IUPAC name of (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine (CID 99770576) is (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine.
What is the SMILES notation for (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine?
The canonical SMILES for (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine is C(CCC[C@H]1CO1)CC[C@H]1CN1.
What is the InChIKey of (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine?
The InChIKey is KHNCSHCAAOUZFZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-11H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine?
(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine is sourced from PubChem (CID 99770576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).