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

C14H29NO3 — CID 62265990

IUPAC[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol
SMILESCOCCCN(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C14H29NO3/c1-17-10-5-8-15(9-11-18-2)12-14(13-16)6-3-4-7-14/h16H,3-13H2,1-2H3
InChIKeyXQZMKSWYOKMHLD-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.52
Rot. Bonds10

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

[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol (PubChem CID 62265990) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol
PubChem CID62265990
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol
SMILESCOCCCN(CCOC)CC1(CO)CCCC1
InChIInChI=1S/C14H29NO3/c1-17-10-5-8-15(9-11-18-2)12-14(13-16)6-3-4-7-14/h16H,3-13H2,1-2H3
InChIKeyXQZMKSWYOKMHLD-UHFFFAOYSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol (CID 62265990) is [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol is COCCCN(CCOC)CC1(CO)CCCC1.
What is the InChIKey of [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is XQZMKSWYOKMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-17-10-5-8-15(9-11-18-2)12-14(13-16)6-3-4-7-14/h16H,3-13H2,1-2H3.
What are the key properties of [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol?
[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62265990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).