2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one

C15H29NO2 — CID 55093725

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one
SMILESCCC(CC)N(CCOC)CC1CCCCC1=O
InChIInChI=1S/C15H29NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-14H,4-12H2,1-3H3
InChIKeyZHDAHWCLEQADDL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds8

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one (PubChem CID 55093725) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one
PubChem CID55093725
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one
SMILESCCC(CC)N(CCOC)CC1CCCCC1=O
InChIInChI=1S/C15H29NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-14H,4-12H2,1-3H3
InChIKeyZHDAHWCLEQADDL-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one (CID 55093725) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one is CCC(CC)N(CCOC)CC1CCCCC1=O.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is ZHDAHWCLEQADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 55093725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).