[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C15H27N2O2+ — CID 7406205

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO=C(C[NH2+]C[C@@H]1CCCO1)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18)/p+1/t14-/m0/s1
InChIKeyGDQJIWURJGGISV-AWEZNQCLSA-O
MW267.39 g/mol
LogP0.74
Rot. Bonds7

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7406205) has the molecular formula C15H27N2O2+ and a molecular weight of 267.39 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7406205
Molecular FormulaC15H27N2O2+
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO=C(C[NH2+]C[C@@H]1CCCO1)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18)/p+1/t14-/m0/s1
InChIKeyGDQJIWURJGGISV-AWEZNQCLSA-O
XLogP0.74
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7406205) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is O=C(C[NH2+]C[C@@H]1CCCO1)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is GDQJIWURJGGISV-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18)/p+1/t14-/m0/s1.
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 267.39 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7406205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).