1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol

C13H27NO3 — CID 60723364

IUPAC1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCN(CCOC)CC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-10-8-14(9-11-17-2)12-13(15)6-4-3-5-7-13/h15H,3-12H2,1-2H3
InChIKeyWUUFZULUEZIUJR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.28
Rot. Bonds8

About 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol

1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 60723364) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol
PubChem CID60723364
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCN(CCOC)CC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-10-8-14(9-11-17-2)12-13(15)6-4-3-5-7-13/h15H,3-12H2,1-2H3
InChIKeyWUUFZULUEZIUJR-UHFFFAOYSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol (CID 60723364) is 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol is COCCN(CCOC)CC1(O)CCCCC1.
What is the InChIKey of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WUUFZULUEZIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-16-10-8-14(9-11-17-2)12-13(15)6-4-3-5-7-13/h15H,3-12H2,1-2H3.
What are the key properties of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol?
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 60723364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).