[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol

C15H31NO2 — CID 55055620

IUPAC[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
SMILESCCC(CC)N(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-15(13-17)8-6-7-9-15/h14,17H,4-13H2,1-3H3
InChIKeyJCWOHXOVWTXGPY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.68
Rot. Bonds9

About [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol

[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 55055620) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
PubChem CID55055620
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
SMILESCCC(CC)N(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-15(13-17)8-6-7-9-15/h14,17H,4-13H2,1-3H3
InChIKeyJCWOHXOVWTXGPY-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol (CID 55055620) is [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol is CCC(CC)N(CCOC)CC1(CO)CCCC1.
What is the InChIKey of [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is JCWOHXOVWTXGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-15(13-17)8-6-7-9-15/h14,17H,4-13H2,1-3H3.
What are the key properties of [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol?
[1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 55055620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).