3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol

C12H25NO3 — CID 79642542

IUPAC3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol
SMILESCOCCCN(CCOC)C1CCC(O)C1
InChIInChI=1S/C12H25NO3/c1-15-8-3-6-13(7-9-16-2)11-4-5-12(14)10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyHJSBJCYGTQWKSH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.88
Rot. Bonds8

About 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol

3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol (PubChem CID 79642542) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol
PubChem CID79642542
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol
SMILESCOCCCN(CCOC)C1CCC(O)C1
InChIInChI=1S/C12H25NO3/c1-15-8-3-6-13(7-9-16-2)11-4-5-12(14)10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyHJSBJCYGTQWKSH-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.88
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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Related Compounds

3-(diethylamino)cyclopentan-1-ol
CID 79643942
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498234
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyrrolidin-3-ol
CID 66056161
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
CID 106799560

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol?
The IUPAC name of 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol (CID 79642542) is 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol is COCCCN(CCOC)C1CCC(O)C1.
What is the InChIKey of 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol?
The InChIKey is HJSBJCYGTQWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-15-8-3-6-13(7-9-16-2)11-4-5-12(14)10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol?
3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 79642542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).