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

C15H27N2O2+ — CID 7406211

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-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-/m1/s1
InChIKeyGDQJIWURJGGISV-CQSZACIVSA-O
MW267.39 g/mol
LogP0.74
Rot. Bonds7

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

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 7406211) 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]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID7406211
Molecular FormulaC15H27N2O2+
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-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-/m1/s1
InChIKeyGDQJIWURJGGISV-CQSZACIVSA-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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Related Compounds

[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136999
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111139803
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] oxane-4-carboxylate
CID 55374912
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111208604
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111782414

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 7406211) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-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]-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is GDQJIWURJGGISV-CQSZACIVSA-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-/m1/s1.
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-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]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7406211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).