2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one

C15H27NO2 — CID 62612876

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CC(C)CCC1=O
InChIInChI=1S/C15H27NO2/c1-3-16(11-14-5-4-8-18-14)10-13-9-12(2)6-7-15(13)17/h12-14H,3-11H2,1-2H3
InChIKeyAFSONTQHHCQBFP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one (PubChem CID 62612876) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one
PubChem CID62612876
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CC(C)CCC1=O
InChIInChI=1S/C15H27NO2/c1-3-16(11-14-5-4-8-18-14)10-13-9-12(2)6-7-15(13)17/h12-14H,3-11H2,1-2H3
InChIKeyAFSONTQHHCQBFP-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one (CID 62612876) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one is CCN(CC1CCCO1)CC1CC(C)CCC1=O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one?
The InChIKey is AFSONTQHHCQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-16(11-14-5-4-8-18-14)10-13-9-12(2)6-7-15(13)17/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62612876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).