2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol

C11H23NO2 — CID 79124394

IUPAC2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
SMILESCCC(O)(COC)C1(CN)CCCC1
InChIInChI=1S/C11H23NO2/c1-3-11(13,9-14-2)10(8-12)6-4-5-7-10/h13H,3-9,12H2,1-2H3
InChIKeyOQZUDQMEXYXSNQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds5

About 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol

2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol (PubChem CID 79124394) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
PubChem CID79124394
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
SMILESCCC(O)(COC)C1(CN)CCCC1
InChIInChI=1S/C11H23NO2/c1-3-11(13,9-14-2)10(8-12)6-4-5-7-10/h13H,3-9,12H2,1-2H3
InChIKeyOQZUDQMEXYXSNQ-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol
CID 80610750
2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol
CID 80603367
1-(2-hydroxy-1-methoxybutan-2-yl)cycloheptane-1-carbonitrile
CID 79131621
2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
CID 79123735
2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol
CID 79134839
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
1-(2-hydroxy-1-methoxybutan-2-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132622
[1-(2-fluoropropan-2-yl)cyclohexyl]methanamine
CID 83816490
4-(2-hydroxy-1-methoxybutan-2-yl)oxane-4-carbonitrile
CID 79132519
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]butan-2-ol
CID 79127863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol (CID 79124394) is 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol is CCC(O)(COC)C1(CN)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol?
The InChIKey is OQZUDQMEXYXSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(13,9-14-2)10(8-12)6-4-5-7-10/h13H,3-9,12H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol?
2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol is sourced from PubChem (CID 79124394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).