2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol

C13H27NO2 — CID 62610620

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CCOC)CC1CCCCCC1O
InChIInChI=1S/C13H27NO2/c1-3-14(9-10-16-2)11-12-7-5-4-6-8-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyXDCGDCAUPHPMBY-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds6

About 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol

2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62610620) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62610620
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CCOC)CC1CCCCCC1O
InChIInChI=1S/C13H27NO2/c1-3-14(9-10-16-2)11-12-7-5-4-6-8-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyXDCGDCAUPHPMBY-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(2-methoxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610458
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62616551
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466
2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
CID 63939487
2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclohexan-1-ol
CID 63938716
6-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848872
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62609558
2-[[bis(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62609389
5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298724
2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentan-1-ol
CID 62609054
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol (CID 62610620) is 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol is CCN(CCOC)CC1CCCCCC1O.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is XDCGDCAUPHPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-14(9-10-16-2)11-12-7-5-4-6-8-13(12)15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol?
2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62610620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).