2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol

C15H31NO3 — CID 55094300

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CCOC)CCOC)C1
InChIInChI=1S/C15H31NO3/c1-4-13-5-6-15(17)14(11-13)12-16(7-9-18-2)8-10-19-3/h13-15,17H,4-12H2,1-3H3
InChIKeyTUPAGSCKBJQIJO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.77
Rot. Bonds9

About 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 55094300) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID55094300
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CCOC)CCOC)C1
InChIInChI=1S/C15H31NO3/c1-4-13-5-6-15(17)14(11-13)12-16(7-9-18-2)8-10-19-3/h13-15,17H,4-12H2,1-3H3
InChIKeyTUPAGSCKBJQIJO-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 55094300) is 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(CCOC)CCOC)C1.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is TUPAGSCKBJQIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-13-5-6-15(17)14(11-13)12-16(7-9-18-2)8-10-19-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 55094300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).