1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one

C17H32N2O — CID 79572543

IUPAC1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one
SMILESCCNC1CCCC1CCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C17H32N2O/c1-4-18-15-7-5-6-14(15)9-12-19-13-11-17(2,3)10-8-16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeyLDXPAHMBDUHWOG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one

1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one (PubChem CID 79572543) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one.

Molecular Properties

Compound Name1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one
PubChem CID79572543
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one
SMILESCCNC1CCCC1CCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C17H32N2O/c1-4-18-15-7-5-6-14(15)9-12-19-13-11-17(2,3)10-8-16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeyLDXPAHMBDUHWOG-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one?
The IUPAC name of 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one (CID 79572543) is 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one.
What is the SMILES notation for 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one?
The canonical SMILES for 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one is CCNC1CCCC1CCN1CCC(C)(C)CCC1=O.
What is the InChIKey of 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one?
The InChIKey is LDXPAHMBDUHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-18-15-7-5-6-14(15)9-12-19-13-11-17(2,3)10-8-16(19)20/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one?
1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one has a molecular weight of 280.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one is sourced from PubChem (CID 79572543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).