4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one

C18H33NO — CID 62613194

IUPAC4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CC(C(C)(C)C)CCC1=O)C1CCCC1
InChIInChI=1S/C18H33NO/c1-5-19(16-8-6-7-9-16)13-14-12-15(18(2,3)4)10-11-17(14)20/h14-16H,5-13H2,1-4H3
InChIKeyBLWBQCIOPRNMPZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds4

About 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one

4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62613194) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one
PubChem CID62613194
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CC(C(C)(C)C)CCC1=O)C1CCCC1
InChIInChI=1S/C18H33NO/c1-5-19(16-8-6-7-9-16)13-14-12-15(18(2,3)4)10-11-17(14)20/h14-16H,5-13H2,1-4H3
InChIKeyBLWBQCIOPRNMPZ-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one (CID 62613194) is 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one is CCN(CC1CC(C(C)(C)C)CCC1=O)C1CCCC1.
What is the InChIKey of 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is BLWBQCIOPRNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-19(16-8-6-7-9-16)13-14-12-15(18(2,3)4)10-11-17(14)20/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one?
4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).