1-[(1-aminocyclopentyl)methoxy]butan-2-ol

C10H21NO2 — CID 106939956

IUPAC1-[(1-aminocyclopentyl)methoxy]butan-2-ol
SMILESCCC(O)COCC1(N)CCCC1
InChIInChI=1S/C10H21NO2/c1-2-9(12)7-13-8-10(11)5-3-4-6-10/h9,12H,2-8,11H2,1H3
InChIKeyMGPZLXBKIOGDTH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.05
Rot. Bonds5

About 1-[(1-aminocyclopentyl)methoxy]butan-2-ol

1-[(1-aminocyclopentyl)methoxy]butan-2-ol (PubChem CID 106939956) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(1-aminocyclopentyl)methoxy]butan-2-ol.

Molecular Properties

Compound Name1-[(1-aminocyclopentyl)methoxy]butan-2-ol
PubChem CID106939956
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(1-aminocyclopentyl)methoxy]butan-2-ol
SMILESCCC(O)COCC1(N)CCCC1
InChIInChI=1S/C10H21NO2/c1-2-9(12)7-13-8-10(11)5-3-4-6-10/h9,12H,2-8,11H2,1H3
InChIKeyMGPZLXBKIOGDTH-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The IUPAC name of 1-[(1-aminocyclopentyl)methoxy]butan-2-ol (CID 106939956) is 1-[(1-aminocyclopentyl)methoxy]butan-2-ol.
What is the SMILES notation for 1-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The canonical SMILES for 1-[(1-aminocyclopentyl)methoxy]butan-2-ol is CCC(O)COCC1(N)CCCC1.
What is the InChIKey of 1-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The InChIKey is MGPZLXBKIOGDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-9(12)7-13-8-10(11)5-3-4-6-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-[(1-aminocyclopentyl)methoxy]butan-2-ol?
1-[(1-aminocyclopentyl)methoxy]butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclopentyl)methoxy]butan-2-ol is sourced from PubChem (CID 106939956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).