3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol

C8H18N2O2 — CID 143974260

IUPAC3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol
SMILESNC1CC(O)CC(NCCO)C1
InChIInChI=1S/C8H18N2O2/c9-6-3-7(10-1-2-11)5-8(12)4-6/h6-8,10-12H,1-5,9H2
InChIKeyMADWKUPLONAOMN-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.19
Rot. Bonds3

About 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol

3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol (PubChem CID 143974260) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol
PubChem CID143974260
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol
SMILESNC1CC(O)CC(NCCO)C1
InChIInChI=1S/C8H18N2O2/c9-6-3-7(10-1-2-11)5-8(12)4-6/h6-8,10-12H,1-5,9H2
InChIKeyMADWKUPLONAOMN-UHFFFAOYSA-N
XLogP-1.19
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol?
The IUPAC name of 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol (CID 143974260) is 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol is NC1CC(O)CC(NCCO)C1.
What is the InChIKey of 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol?
The InChIKey is MADWKUPLONAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-6-3-7(10-1-2-11)5-8(12)4-6/h6-8,10-12H,1-5,9H2.
What are the key properties of 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol?
3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol has a molecular weight of 174.24 g/mol, XLogP of -1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxyethylamino)cyclohexan-1-ol is sourced from PubChem (CID 143974260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).