3-[(1-aminocyclopentyl)methoxy]butan-2-ol

C10H21NO2 — CID 106939959

IUPAC3-[(1-aminocyclopentyl)methoxy]butan-2-ol
SMILESCC(O)C(C)OCC1(N)CCCC1
InChIInChI=1S/C10H21NO2/c1-8(12)9(2)13-7-10(11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyLZPPFOXOAXQABN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds4

About 3-[(1-aminocyclopentyl)methoxy]butan-2-ol

3-[(1-aminocyclopentyl)methoxy]butan-2-ol (PubChem CID 106939959) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[(1-aminocyclopentyl)methoxy]butan-2-ol.

Molecular Properties

Compound Name3-[(1-aminocyclopentyl)methoxy]butan-2-ol
PubChem CID106939959
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[(1-aminocyclopentyl)methoxy]butan-2-ol
SMILESCC(O)C(C)OCC1(N)CCCC1
InChIInChI=1S/C10H21NO2/c1-8(12)9(2)13-7-10(11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyLZPPFOXOAXQABN-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The IUPAC name of 3-[(1-aminocyclopentyl)methoxy]butan-2-ol (CID 106939959) is 3-[(1-aminocyclopentyl)methoxy]butan-2-ol.
What is the SMILES notation for 3-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The canonical SMILES for 3-[(1-aminocyclopentyl)methoxy]butan-2-ol is CC(O)C(C)OCC1(N)CCCC1.
What is the InChIKey of 3-[(1-aminocyclopentyl)methoxy]butan-2-ol?
The InChIKey is LZPPFOXOAXQABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(12)9(2)13-7-10(11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 3-[(1-aminocyclopentyl)methoxy]butan-2-ol?
3-[(1-aminocyclopentyl)methoxy]butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentyl)methoxy]butan-2-ol is sourced from PubChem (CID 106939959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).