1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

C15H26N2O — CID 15916

IUPAC1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
SMILESCCN(CC)CCN1C(=O)C(C)C=C(C)C=C1C
InChIInChI=1S/C15H26N2O/c1-6-16(7-2)8-9-17-14(5)11-12(3)10-13(4)15(17)18/h10-11,13H,6-9H2,1-5H3
InChIKeyYHGBLDSNMDEQDX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one

1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one (PubChem CID 15916) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
PubChem CID15916
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
SMILESCCN(CC)CCN1C(=O)C(C)C=C(C)C=C1C
InChIInChI=1S/C15H26N2O/c1-6-16(7-2)8-9-17-14(5)11-12(3)10-13(4)15(17)18/h10-11,13H,6-9H2,1-5H3
InChIKeyYHGBLDSNMDEQDX-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one (CID 15916) is 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one is CCN(CC)CCN1C(=O)C(C)C=C(C)C=C1C.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one?
The InChIKey is YHGBLDSNMDEQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-16(7-2)8-9-17-14(5)11-12(3)10-13(4)15(17)18/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one?
1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one is sourced from PubChem (CID 15916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).