4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one

C17H33NO — CID 63484095

IUPAC4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCCCCN(CC1CC(CC)CCC1=O)C(C)C
InChIInChI=1S/C17H33NO/c1-5-7-8-11-18(14(3)4)13-16-12-15(6-2)9-10-17(16)19/h14-16H,5-13H2,1-4H3
InChIKeyBRVLEMPGYDOCFV-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds8

About 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one

4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one (PubChem CID 63484095) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
PubChem CID63484095
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCCCCN(CC1CC(CC)CCC1=O)C(C)C
InChIInChI=1S/C17H33NO/c1-5-7-8-11-18(14(3)4)13-16-12-15(6-2)9-10-17(16)19/h14-16H,5-13H2,1-4H3
InChIKeyBRVLEMPGYDOCFV-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707930
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one (CID 63484095) is 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one is CCCCCN(CC1CC(CC)CCC1=O)C(C)C.
What is the InChIKey of 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is BRVLEMPGYDOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-7-8-11-18(14(3)4)13-16-12-15(6-2)9-10-17(16)19/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 267.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63484095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).