5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one

C18H34N2O — CID 104747795

IUPAC5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
SMILESCNC(CN1CCC(C(C)(C)C)CCC1=O)C1CCCC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)15-9-10-17(21)20(12-11-15)13-16(19-4)14-7-5-6-8-14/h14-16,19H,5-13H2,1-4H3
InChIKeyPQKNDKDAHFRQTG-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds4

About 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one

5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one (PubChem CID 104747795) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
PubChem CID104747795
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
SMILESCNC(CN1CCC(C(C)(C)C)CCC1=O)C1CCCC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)15-9-10-17(21)20(12-11-15)13-16(19-4)14-7-5-6-8-14/h14-16,19H,5-13H2,1-4H3
InChIKeyPQKNDKDAHFRQTG-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentyl-N-[(7-oxoazepan-2-YL)methyl]acetamide
CID 91909429
N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide
CID 110196450
3-Cyclopentyl-N-[(7-oxoazepan-2-YL)methyl]propanamide
CID 124073267
2-Cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one
CID 128886391
Sdccgsbi-0117246.P001
CID 45199037
2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
CID 56643348
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-tert-butylazepan-2-one
CID 64358916
N-[2-(azepan-1-yl)ethyl]cyclopentanecarboxamide
CID 53509956
1-(2-Bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589743
1-(2-Bicyclo[3.1.0]hexanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589745
5,5-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590014
1-[(1-Ethylpiperidin-3-yl)methyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20798913

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one?
The IUPAC name of 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one (CID 104747795) is 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one.
What is the SMILES notation for 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one?
The canonical SMILES for 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one is CNC(CN1CCC(C(C)(C)C)CCC1=O)C1CCCC1.
What is the InChIKey of 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one?
The InChIKey is PQKNDKDAHFRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-18(2,3)15-9-10-17(21)20(12-11-15)13-16(19-4)14-7-5-6-8-14/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one?
5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one has a molecular weight of 294.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one is sourced from PubChem (CID 104747795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).