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

C15H31NO3 — CID 55094347

IUPAC2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCOCCN(CC1CCCCCC1O)C(C)COC
InChIInChI=1S/C15H31NO3/c1-13(12-19-3)16(9-10-18-2)11-14-7-5-4-6-8-15(14)17/h13-15,17H,4-12H2,1-3H3
InChIKeyYAJHZNWJQKHZBD-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.91
Rot. Bonds8

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

2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 55094347) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID55094347
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCOCCN(CC1CCCCCC1O)C(C)COC
InChIInChI=1S/C15H31NO3/c1-13(12-19-3)16(9-10-18-2)11-14-7-5-4-6-8-15(14)17/h13-15,17H,4-12H2,1-3H3
InChIKeyYAJHZNWJQKHZBD-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (CID 55094347) is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is COCCN(CC1CCCCCC1O)C(C)COC.
What is the InChIKey of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is YAJHZNWJQKHZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(12-19-3)16(9-10-18-2)11-14-7-5-4-6-8-15(14)17/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55094347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).