1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol

C13H25NO2 — CID 115719665

IUPAC1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(12-4-8-16-9-5-12)14-10-13(15)6-2-3-7-13/h11-12,14-15H,2-10H2,1H3
InChIKeyNKQAXMVVSNZYJR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds4

About 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 115719665) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID115719665
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(12-4-8-16-9-5-12)14-10-13(15)6-2-3-7-13/h11-12,14-15H,2-10H2,1H3
InChIKeyNKQAXMVVSNZYJR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131022
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
1-[[1-(1-ethylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65105376
N,N-dimethyl-1-[[1-(oxolan-3-yl)ethylamino]methyl]cyclopentan-1-amine
CID 115707728
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol (CID 115719665) is 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)C1CCOCC1.
What is the InChIKey of 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is NKQAXMVVSNZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(12-4-8-16-9-5-12)14-10-13(15)6-2-3-7-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115719665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).