6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one

C16H28N4O — CID 66129381

IUPAC6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
SMILESCCCn1cncc1C1C(N)CCCC(=O)N1CC(C)C
InChIInChI=1S/C16H28N4O/c1-4-8-19-11-18-9-14(19)16-13(17)6-5-7-15(21)20(16)10-12(2)3/h9,11-13,16H,4-8,10,17H2,1-3H3
InChIKeyGPXGJFQGPGTRAN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.33
Rot. Bonds5

About 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one

6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one (PubChem CID 66129381) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
PubChem CID66129381
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
SMILESCCCn1cncc1C1C(N)CCCC(=O)N1CC(C)C
InChIInChI=1S/C16H28N4O/c1-4-8-19-11-18-9-14(19)16-13(17)6-5-7-15(21)20(16)10-12(2)3/h9,11-13,16H,4-8,10,17H2,1-3H3
InChIKeyGPXGJFQGPGTRAN-UHFFFAOYSA-N
XLogP2.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one?
The IUPAC name of 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one (CID 66129381) is 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one is CCCn1cncc1C1C(N)CCCC(=O)N1CC(C)C.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one?
The InChIKey is GPXGJFQGPGTRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-19-11-18-9-14(19)16-13(17)6-5-7-15(21)20(16)10-12(2)3/h9,11-13,16H,4-8,10,17H2,1-3H3.
What are the key properties of 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one?
6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one has a molecular weight of 292.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one is sourced from PubChem (CID 66129381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).