1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol

C14H27NO2 — CID 102672319

IUPAC1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCC2CCOC2)CCCCCC1
InChIInChI=1S/C14H27NO2/c16-14(7-3-1-2-4-8-14)12-15-9-5-13-6-10-17-11-13/h13,15-16H,1-12H2
InChIKeyMUIPLRYORKITNC-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds5

About 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol

1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 102672319) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID102672319
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCC2CCOC2)CCCCCC1
InChIInChI=1S/C14H27NO2/c16-14(7-3-1-2-4-8-14)12-15-9-5-13-6-10-17-11-13/h13,15-16H,1-12H2
InChIKeyMUIPLRYORKITNC-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
CID 115692767
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
CID 115073811
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
4-hydroxy-4-[(oxolan-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499198
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol (CID 102672319) is 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol is OC1(CNCCC2CCOC2)CCCCCC1.
What is the InChIKey of 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is MUIPLRYORKITNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c16-14(7-3-1-2-4-8-14)12-15-9-5-13-6-10-17-11-13/h13,15-16H,1-12H2.
What are the key properties of 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol?
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 102672319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).