4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one

C14H26N2O — CID 64922556

IUPAC4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one
SMILESCCC1CCC(NC2CCCNC(=O)C2)C1C
InChIInChI=1S/C14H26N2O/c1-3-11-6-7-13(10(11)2)16-12-5-4-8-15-14(17)9-12/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyABIPUVCNDOECRS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds3

About 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one

4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one (PubChem CID 64922556) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one
PubChem CID64922556
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one
SMILESCCC1CCC(NC2CCCNC(=O)C2)C1C
InChIInChI=1S/C14H26N2O/c1-3-11-6-7-13(10(11)2)16-12-5-4-8-15-14(17)9-12/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyABIPUVCNDOECRS-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one?
The IUPAC name of 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one (CID 64922556) is 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one.
What is the SMILES notation for 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one?
The canonical SMILES for 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one is CCC1CCC(NC2CCCNC(=O)C2)C1C.
What is the InChIKey of 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one?
The InChIKey is ABIPUVCNDOECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11-6-7-13(10(11)2)16-12-5-4-8-15-14(17)9-12/h10-13,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one?
4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one is sourced from PubChem (CID 64922556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).