2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol

C11H21NO2 — CID 50980110

IUPAC2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)C1=CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(12-11(7-13)8-14)10-5-3-2-4-6-10/h5,9,11-14H,2-4,6-8H2,1H3
InChIKeySVYZKVNPSJIHJL-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.82
Rot. Bonds5

About 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol

2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol (PubChem CID 50980110) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol
PubChem CID50980110
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)C1=CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(12-11(7-13)8-14)10-5-3-2-4-6-10/h5,9,11-14H,2-4,6-8H2,1H3
InChIKeySVYZKVNPSJIHJL-UHFFFAOYSA-N
XLogP0.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492930
N-hydroxyethyl-N-cyclohex-1-enylmethylamine
CID 22951276
1-(Cyclohexen-1-ylmethylamino)ethanol
CID 23342177
2-(3,7-Dimethylocta-2,6-dienylamino)propan-1-ol
CID 54199179
2-[2-(Cyclohexen-1-yl)ethylamino]ethanol
CID 55209957
2-(Cyclohex-3-en-1-ylamino)propan-1-ol
CID 91357368
(E)-2-(2-hydroxyethylamino)dodec-3-en-1-ol
CID 117814659
(E)-2-(2-hydroxyethylamino)tridec-3-en-1-ol
CID 117814677
(E)-2-(2-hydroxyethylamino)undec-3-en-1-ol
CID 117814916
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
2-(2-Ethylpent-2-enylamino)propan-1-ol
CID 123886226
(1S)-1-(cyclohexen-1-ylmethylamino)-2-methylpropan-1-ol
CID 144314861

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol (CID 50980110) is 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol is CC(NC(CO)CO)C1=CCCCC1.
What is the InChIKey of 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol?
The InChIKey is SVYZKVNPSJIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(12-11(7-13)8-14)10-5-3-2-4-6-10/h5,9,11-14H,2-4,6-8H2,1H3.
What are the key properties of 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol?
2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol has a molecular weight of 199.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexen-1-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 50980110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).