2-[cyclopentyl(4-methoxybutyl)amino]ethanol

C12H25NO2 — CID 115679647

IUPAC2-[cyclopentyl(4-methoxybutyl)amino]ethanol
SMILESCOCCCCN(CCO)C1CCCC1
InChIInChI=1S/C12H25NO2/c1-15-11-5-4-8-13(9-10-14)12-6-2-3-7-12/h12,14H,2-11H2,1H3
InChIKeyIFMYWZCSKGOQDQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds8

About 2-[cyclopentyl(4-methoxybutyl)amino]ethanol

2-[cyclopentyl(4-methoxybutyl)amino]ethanol (PubChem CID 115679647) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[cyclopentyl(4-methoxybutyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(4-methoxybutyl)amino]ethanol
PubChem CID115679647
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[cyclopentyl(4-methoxybutyl)amino]ethanol
SMILESCOCCCCN(CCO)C1CCCC1
InChIInChI=1S/C12H25NO2/c1-15-11-5-4-8-13(9-10-14)12-6-2-3-7-12/h12,14H,2-11H2,1H3
InChIKeyIFMYWZCSKGOQDQ-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
CID 56792218
2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
CID 104647778
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
CID 169317552
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(4-methoxybutyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(4-methoxybutyl)amino]ethanol (CID 115679647) is 2-[cyclopentyl(4-methoxybutyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(4-methoxybutyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(4-methoxybutyl)amino]ethanol is COCCCCN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(4-methoxybutyl)amino]ethanol?
The InChIKey is IFMYWZCSKGOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-15-11-5-4-8-13(9-10-14)12-6-2-3-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 2-[cyclopentyl(4-methoxybutyl)amino]ethanol?
2-[cyclopentyl(4-methoxybutyl)amino]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(4-methoxybutyl)amino]ethanol is sourced from PubChem (CID 115679647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).