[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol

C13H27NO3 — CID 55055523

IUPAC[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol
SMILESCOCCN(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-7-14(8-10-17-2)11-13(12-15)5-3-4-6-13/h15H,3-12H2,1-2H3
InChIKeyXDUQVDCDYWTGDA-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.13
Rot. Bonds9

About [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol

[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol (PubChem CID 55055523) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol
PubChem CID55055523
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol
SMILESCOCCN(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-7-14(8-10-17-2)11-13(12-15)5-3-4-6-13/h15H,3-12H2,1-2H3
InChIKeyXDUQVDCDYWTGDA-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.13
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]cyclopentyl]methanol?
The IUPAC name of [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol (CID 55055523) is [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol is COCCN(CCOC)CC1(CO)CCCC1.
What is the InChIKey of [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is XDUQVDCDYWTGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-16-9-7-14(8-10-17-2)11-13(12-15)5-3-4-6-13/h15H,3-12H2,1-2H3.
What are the key properties of [1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol?
[1-[[bis(2-methoxyethyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 245.36 g/mol, XLogP of 1.13, 9 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]cyclopentyl]methanol is sourced from PubChem (CID 55055523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).