1-(oxan-4-ylmethylamino)pentan-2-ol

C11H23NO2 — CID 115685627

IUPAC1-(oxan-4-ylmethylamino)pentan-2-ol
SMILESCCCC(O)CNCC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-2-3-11(13)9-12-8-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3
InChIKeyMTZGKMYKEDNUOH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds6

About 1-(oxan-4-ylmethylamino)pentan-2-ol

1-(oxan-4-ylmethylamino)pentan-2-ol (PubChem CID 115685627) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(oxan-4-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-ylmethylamino)pentan-2-ol
PubChem CID115685627
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(oxan-4-ylmethylamino)pentan-2-ol
SMILESCCCC(O)CNCC1CCOCC1
InChIInChI=1S/C11H23NO2/c1-2-3-11(13)9-12-8-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3
InChIKeyMTZGKMYKEDNUOH-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 115251525
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
CID 103268448
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethylamino)pentan-2-ol?
The IUPAC name of 1-(oxan-4-ylmethylamino)pentan-2-ol (CID 115685627) is 1-(oxan-4-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 1-(oxan-4-ylmethylamino)pentan-2-ol?
The canonical SMILES for 1-(oxan-4-ylmethylamino)pentan-2-ol is CCCC(O)CNCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethylamino)pentan-2-ol?
The InChIKey is MTZGKMYKEDNUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-11(13)9-12-8-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-(oxan-4-ylmethylamino)pentan-2-ol?
1-(oxan-4-ylmethylamino)pentan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115685627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).