N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine

C10H17NO2 — CID 92754395

IUPACN-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine
SMILESC1CCCC(=NOC[C@@H]2CO2)CC1
InChIInChI=1S/C10H17NO2/c1-2-4-6-9(5-3-1)11-13-8-10-7-12-10/h10H,1-8H2/t10-/m0/s1
InChIKeyIAWDGSCDDLTCLU-JTQLQIEISA-N
MW183.25 g/mol
LogP2.11
Rot. Bonds3

About N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine

N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine (PubChem CID 92754395) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine.

Molecular Properties

Compound NameN-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine
PubChem CID92754395
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine
SMILESC1CCCC(=NOC[C@@H]2CO2)CC1
InChIInChI=1S/C10H17NO2/c1-2-4-6-9(5-3-1)11-13-8-10-7-12-10/h10H,1-8H2/t10-/m0/s1
InChIKeyIAWDGSCDDLTCLU-JTQLQIEISA-N
XLogP2.11
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine?
The IUPAC name of N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine (CID 92754395) is N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine.
What is the SMILES notation for N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine?
The canonical SMILES for N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine is C1CCCC(=NOC[C@@H]2CO2)CC1.
What is the InChIKey of N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine?
The InChIKey is IAWDGSCDDLTCLU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-4-6-9(5-3-1)11-13-8-10-7-12-10/h10H,1-8H2/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine?
N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine has a molecular weight of 183.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxiran-2-yl]methoxy]cycloheptanimine is sourced from PubChem (CID 92754395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).