1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol

C12H23NO2 — CID 115773203

IUPAC1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol
SMILESC=CCN(CCO)CC1(O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-8-13(9-10-14)11-12(15)6-4-3-5-7-12/h2,14-15H,1,3-11H2
InChIKeySHRJAKKORPRGNC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds6

About 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol

1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115773203) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol
PubChem CID115773203
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol
SMILESC=CCN(CCO)CC1(O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-8-13(9-10-14)11-12(15)6-4-3-5-7-12/h2,14-15H,1,3-11H2
InChIKeySHRJAKKORPRGNC-UHFFFAOYSA-N
XLogP1.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol (CID 115773203) is 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol is C=CCN(CCO)CC1(O)CCCCC1.
What is the InChIKey of 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SHRJAKKORPRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-8-13(9-10-14)11-12(15)6-4-3-5-7-12/h2,14-15H,1,3-11H2.
What are the key properties of 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol?
1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115773203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).