3-[(1-propylazepan-4-yl)amino]azepan-2-one

C15H29N3O — CID 65074113

IUPAC3-[(1-propylazepan-4-yl)amino]azepan-2-one
SMILESCCCN1CCCC(NC2CCCCNC2=O)CC1
InChIInChI=1S/C15H29N3O/c1-2-10-18-11-5-6-13(8-12-18)17-14-7-3-4-9-16-15(14)19/h13-14,17H,2-12H2,1H3,(H,16,19)
InChIKeyNBKAXLJKRKHVHF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds4

About 3-[(1-propylazepan-4-yl)amino]azepan-2-one

3-[(1-propylazepan-4-yl)amino]azepan-2-one (PubChem CID 65074113) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[(1-propylazepan-4-yl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(1-propylazepan-4-yl)amino]azepan-2-one
PubChem CID65074113
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[(1-propylazepan-4-yl)amino]azepan-2-one
SMILESCCCN1CCCC(NC2CCCCNC2=O)CC1
InChIInChI=1S/C15H29N3O/c1-2-10-18-11-5-6-13(8-12-18)17-14-7-3-4-9-16-15(14)19/h13-14,17H,2-12H2,1H3,(H,16,19)
InChIKeyNBKAXLJKRKHVHF-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylazepan-4-yl)amino]azepan-2-one?
The IUPAC name of 3-[(1-propylazepan-4-yl)amino]azepan-2-one (CID 65074113) is 3-[(1-propylazepan-4-yl)amino]azepan-2-one.
What is the SMILES notation for 3-[(1-propylazepan-4-yl)amino]azepan-2-one?
The canonical SMILES for 3-[(1-propylazepan-4-yl)amino]azepan-2-one is CCCN1CCCC(NC2CCCCNC2=O)CC1.
What is the InChIKey of 3-[(1-propylazepan-4-yl)amino]azepan-2-one?
The InChIKey is NBKAXLJKRKHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-10-18-11-5-6-13(8-12-18)17-14-7-3-4-9-16-15(14)19/h13-14,17H,2-12H2,1H3,(H,16,19).
What are the key properties of 3-[(1-propylazepan-4-yl)amino]azepan-2-one?
3-[(1-propylazepan-4-yl)amino]azepan-2-one has a molecular weight of 267.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylazepan-4-yl)amino]azepan-2-one is sourced from PubChem (CID 65074113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).