1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol

C13H25NO2 — CID 60909331

IUPAC1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-11(12-6-5-9-16-12)14-10-13(15)7-3-2-4-8-13/h11-12,14-15H,2-10H2,1H3
InChIKeyGCPDGZKCEPOROM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds4

About 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 60909331) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID60909331
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-11(12-6-5-9-16-12)14-10-13(15)7-3-2-4-8-13/h11-12,14-15H,2-10H2,1H3
InChIKeyGCPDGZKCEPOROM-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 60909331) is 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1(O)CCCCC1)C1CCCO1.
What is the InChIKey of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is GCPDGZKCEPOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(12-6-5-9-16-12)14-10-13(15)7-3-2-4-8-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 60909331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).