1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol

C14H27NO2 — CID 104752909

IUPAC1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
SMILESCN(CC1CCOCC1)CC(O)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-15(10-12-6-8-17-9-7-12)11-14(16)13-4-2-3-5-13/h12-14,16H,2-11H2,1H3
InChIKeyKEQCVQUEFLGODB-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds5

About 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol

1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol (PubChem CID 104752909) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
PubChem CID104752909
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
SMILESCN(CC1CCOCC1)CC(O)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-15(10-12-6-8-17-9-7-12)11-14(16)13-4-2-3-5-13/h12-14,16H,2-11H2,1H3
InChIKeyKEQCVQUEFLGODB-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 104752733
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55227210
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol (CID 104752909) is 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol is CN(CC1CCOCC1)CC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The InChIKey is KEQCVQUEFLGODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(10-12-6-8-17-9-7-12)11-14(16)13-4-2-3-5-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 104752909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).