2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol

C15H31NO2 — CID 11139773

IUPAC2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol
SMILESCCCCCCCCC[C@]1(C)ON1C(C)(C)CO
InChIInChI=1S/C15H31NO2/c1-5-6-7-8-9-10-11-12-15(4)16(18-15)14(2,3)13-17/h17H,5-13H2,1-4H3/t15-,16?/m0/s1
InChIKeyAUJYFVKBXAWSRK-VYRBHSGPSA-N
MW257.42 g/mol
LogP3.86
Rot. Bonds10

About 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol

2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol (PubChem CID 11139773) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol
PubChem CID11139773
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol
SMILESCCCCCCCCC[C@]1(C)ON1C(C)(C)CO
InChIInChI=1S/C15H31NO2/c1-5-6-7-8-9-10-11-12-15(4)16(18-15)14(2,3)13-17/h17H,5-13H2,1-4H3/t15-,16?/m0/s1
InChIKeyAUJYFVKBXAWSRK-VYRBHSGPSA-N
XLogP3.86
TPSA35.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
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[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol (CID 11139773) is 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol is CCCCCCCCC[C@]1(C)ON1C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol?
The InChIKey is AUJYFVKBXAWSRK-VYRBHSGPSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-6-7-8-9-10-11-12-15(4)16(18-15)14(2,3)13-17/h17H,5-13H2,1-4H3/t15-,16?/m0/s1.
What are the key properties of 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol?
2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol is sourced from PubChem (CID 11139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).