4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one

C17H31NO — CID 55094782

IUPAC4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C2CCCC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-14-8-9-17(19)15(11-14)12-18(3)16-7-5-6-13(2)10-16/h13-16H,4-12H2,1-3H3
InChIKeyKEGWDAFMHDJLRU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds4

About 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one (PubChem CID 55094782) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
PubChem CID55094782
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C2CCCC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-14-8-9-17(19)15(11-14)12-18(3)16-7-5-6-13(2)10-16/h13-16H,4-12H2,1-3H3
InChIKeyKEGWDAFMHDJLRU-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one (CID 55094782) is 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)C2CCCC(C)C2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one?
The InChIKey is KEGWDAFMHDJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-14-8-9-17(19)15(11-14)12-18(3)16-7-5-6-13(2)10-16/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 55094782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).